CAS RN: 186610-89-9
CAS Name: 4-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]-1-piperazinecarboxaldehyde
OPENEYE Name: 4-[4-[(E)-(2-oxoindolin-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
IUPAC Name: 4-[4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
SYSTEMATIC NAME: 4-[4-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: C1CN(CCN1C=O)C2=CC=C(C=C2)/C=C/3\C4=CC=CC=C4NC3=O
Structure:
CAS RN: 52316-02-6
CAS Name: 2-fluoro-1-$l^{1}-oxidanylethanone
OPENEYE Name: 2-fluoro-1-$l^{1}-oxidanyl-ethanone
IUPAC Name: 2-fluoro-1-$l^{1}-oxidanylethanone
SYSTEMATIC NAME: 2-fluoranyl-1-$l^{1}-oxidanyl-ethanone
MOLECULAR FORMULA: C2H2FO2
MOLECULAR WEIGHT: 77.034483
SMILES: C(C(=O)[O])F
Structure:
CAS RN: 152121-30-7
CAS Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H14FN3O
MOLECULAR WEIGHT: 331.343063
SMILES: C1=CC(=O)C=CC1=C2NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
Structure:
CAS RN: 194615-33-3
CAS Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C20H14FN3O
MOLECULAR WEIGHT: 331.343063
SMILES: C1=CC(=O)C=CC1=C2NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
Structure:
CAS RN: 35834-26-5
CAS Name: 2-[(14Z)-9-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
OPENEYE Name: 2-[(14Z)-9-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
IUPAC Name: 2-[(14Z)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(14Z)-9-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal
MOLECULAR FORMULA: C31H51NO9
MOLECULAR WEIGHT: 581.73794
SMILES: CCC1C(C2C(O2)(/C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC=O)C)C)C
Structure:
CAS RN: 144314-68-1
CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid
OPENEYE Name: 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid
IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CC(=CCC/C(=C/CC1=CNC(=C1)C(=O)O)/C)C
Structure:
CAS RN: 13111-57-4
CAS Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxychromen-4-one
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-8-methoxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: COC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O
Structure:
CAS RN: 6735-59-7
CAS Name: [(E)-(1-methyl-2-pyridinylidene)methyl]-oxoammonium
OPENEYE Name: [(E)-(1-methyl-2-pyridylidene)methyl]-oxo-ammonium
IUPAC Name: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium
SYSTEMATIC NAME: [(E)-(1-methylpyridin-2-ylidene)methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C7H9N2O+
MOLECULAR WEIGHT: 137.15916
SMILES: CN\1C=CC=C/C1=C\[NH+]=O
Structure:
CAS RN: 737-86-0
CAS Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]pyridine-4-carbohydrazide
IUPAC Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C14H14N4O3
MOLECULAR WEIGHT: 286.28596
SMILES: CC1=NC=C(/C(=C\NNC(=O)C2=CC=NC=C2)/C1=O)CO
Structure:
CAS RN: 83706-05-2
CAS Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]pyridine-4-carbohydrazide
IUPAC Name: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C14H14N4O3
MOLECULAR WEIGHT: 286.28596
SMILES: CC1=NC=C(/C(=C\NNC(=O)C2=CC=NC=C2)/C1=O)CO
Structure:
CAS RN: 20554-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 29552-41-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 64211-45-6
CAS Name: 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1-imidazolyl)ethanimine
OPENEYE Name: 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-yl-ethanimine
IUPAC Name: 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-yl-ethanimine
MOLECULAR FORMULA: C18H13Cl4N3O
MOLECULAR WEIGHT: 429.12732
SMILES: C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 151720-43-3
CAS Name: (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
OPENEYE Name: (E)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynehydroxamic acid
IUPAC Name: (E)-5-[3-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SYSTEMATIC NAME: (E)-N-oxidanyl-5-[3-(phenylsulfonylamino)phenyl]pent-2-en-4-ynamide
MOLECULAR FORMULA: C17H14N2O4S
MOLECULAR WEIGHT: 342.36906
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)NO
Structure:
CAS RN: 96720-06-8
CAS Name: 2-[(E)-octadec-9-enoxy]ethyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2-[(E)-octadec-9-enoxy]ethyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2-[(E)-octadec-9-enoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2-[(E)-octadec-9-enoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C25H52NO5P
MOLECULAR WEIGHT: 477.657841
SMILES: CCCCCCCC/C=C/CCCCCCCCOCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 58534-46-6
CAS Name: (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-1-propanamine
OPENEYE Name: (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-propan-1-amine
IUPAC Name: (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine
SYSTEMATIC NAME: (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-propan-1-amine
MOLECULAR FORMULA: C18H19NO
MOLECULAR WEIGHT: 265.34956
SMILES: CNCC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31
Structure:
CAS RN: 796-42-9
CAS Name: N'-[(Z)-(2-oxo-1-naphthalenylidene)methyl]-4-pyridinecarbohydrazide
OPENEYE Name: N'-[(Z)-(2-oxo-1-naphthylidene)methyl]pyridine-4-carbohydrazide
IUPAC Name: N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]pyridine-4-carbohydrazide
SYSTEMATIC NAME: N'-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]pyridine-4-carbohydrazide
MOLECULAR FORMULA: C17H13N3O2
MOLECULAR WEIGHT: 291.30402
SMILES: C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC(=O)C3=CC=NC=C3
Structure:
CAS RN: 10465-78-8
CAS Name: (3E)-3-[dimethylamino(oxo)methyl]imino-1,1-dimethylurea
OPENEYE Name: (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea
IUPAC Name: (3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea
SYSTEMATIC NAME: (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea
MOLECULAR FORMULA: C6H12N4O2
MOLECULAR WEIGHT: 172.18508
SMILES: CN(C)C(=O)/N=N/C(=O)N(C)C
Structure:
CAS RN: 168301-18-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H72N4O17
MOLECULAR WEIGHT: 1001.12328
SMILES: CC1CC(=O)/C=C\CC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C(=O)NC1=O)OC)C)CC(C(C)CCC(C(C)C(C(C)/C=C/N(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O
Structure:
CAS RN: 20574-50-9
CAS Name: 1-methyl-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-5,6-dihydro-4H-pyrimidine
OPENEYE Name: 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5,6-dihydro-4H-pyrimidine
IUPAC Name: 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
SYSTEMATIC NAME: 1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
MOLECULAR FORMULA: C12H16N2S
MOLECULAR WEIGHT: 220.33384
SMILES: CC1=C(SC=C1)/C=C/C2=NCCCN2C
Structure:
CAS RN: 25717-80-0
CAS Name: (1E)-1-ethoxy-N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]methanimidate
OPENEYE Name: (1E)-1-ethoxy-N-(3-morpholinooxadiazol-3-ium-5-yl)methanimidate
IUPAC Name: (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
SYSTEMATIC NAME: (1E)-1-ethoxy-N-(3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-5-yl)methanimidate
MOLECULAR FORMULA: C9H14N4O4
MOLECULAR WEIGHT: 242.23186
SMILES: CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]
Structure:
CAS RN: 34807-41-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H38O10
MOLECULAR WEIGHT: 654.70232
SMILES: CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)/C=C/C=C/C8=CC=CC=C8
Structure:
CAS RN: 40596-67-6
CAS Name: (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
OPENEYE Name: (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid
IUPAC Name: (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoic acid
MOLECULAR FORMULA: C16H28O3
MOLECULAR WEIGHT: 268.39172
SMILES: CC(CCCC(C)(C)OC)C/C=C/C(=C/C(=O)O)/C
Structure:
CAS RN: 16752-77-5
CAS Name: (1E)-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester
OPENEYE Name: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
IUPAC Name: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
SYSTEMATIC NAME: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
MOLECULAR FORMULA: C5H10N2O2S
MOLECULAR WEIGHT: 162.2101
SMILES: C/C(=N\OC(=O)NC)/SC
Structure:
CAS RN: 19928-35-9
CAS Name: (1E)-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester
OPENEYE Name: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
IUPAC Name: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
SYSTEMATIC NAME: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate
MOLECULAR FORMULA: C5H10N2O2S
MOLECULAR WEIGHT: 162.2101
SMILES: C/C(=N\OC(=O)NC)/SC
Structure:
CAS RN: 2013-58-3
CAS Name: (2Z)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: (2Z)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: (2Z)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylidene-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z)-2-[azanyl(oxidanyl)methylidene]-7-chloranyl-4-(dimethylamino)-6-methylidene-5,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C22H21ClN2O8
MOLECULAR WEIGHT: 476.86374
SMILES: CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)Cl)O
Structure:
CAS RN: 92950-25-9
CAS Name: (6E,8E,10E,12E)-5,14,15-trihydroxyeicosa-6,8,10,12-tetraenoic acid
OPENEYE Name: (6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
IUPAC Name: (6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
SYSTEMATIC NAME: (6E,8E,10E,12E)-5,14,15-tris(oxidanyl)icosa-6,8,10,12-tetraenoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CCCCCC(C(/C=C/C=C/C=C/C=C/C(CCCC(=O)O)O)O)O
Structure:
CAS RN: 40922-77-8
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13Z)-4-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1/C=C\C=C/CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 189631-89-8
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13Z)-4-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1/C=C\C=C/CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 56111-35-4
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13Z)-4-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1/C=C\C=C/CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 57078-36-1
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13Z)-4-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1/C=C\C=C/CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 83310-75-2
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13Z)-4-acetoxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13Z)-4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-10-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1/C=C\C=C/CC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C
Structure:
CAS RN: 34552-84-6
CAS Name: (3E)-3-[hydroxy-[(5-methyl-3-isoxazolyl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: (3E)-3-[hydroxy-[(5-methylisoxazol-3-yl)amino]methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
IUPAC Name: (3E)-3-[hydroxy-[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: (3E)-2-methyl-3-[[(5-methyl-1,2-oxazol-3-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C14H13N3O5S
MOLECULAR WEIGHT: 335.33512
SMILES: CC1=CC(=NO1)N/C(=C\2/C(=O)C3=CC=CC=C3S(=O)(=O)N2C)/O
Structure:
No comments:
Post a Comment