CAS RN: 4956-18-7
CAS Name: 2-bromoacetic acid [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
IUPAC Name: [10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
SYSTEMATIC NAME: [10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C25H33BrO7
MOLECULAR WEIGHT: 525.42932
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CBr)C=O)O
Structure:
CAS RN: 5673-57-4
CAS Name: 3-[(diphenylmethyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(benzyloxycarbonylamino)propanoate
IUPAC Name: (4-nitrophenyl) 3-benzhydrylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (4-nitrophenyl) 3-(diphenylmethyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C30H26N2O6S
MOLECULAR WEIGHT: 542.60224
SMILES: C1=CC=C(C=C1)COC(=O)NC(CSC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 33885-03-9
CAS Name: [diphenyl-[(phenylmethyl)disulfanyl]methyl]benzene
OPENEYE Name: [(benzyldisulfanyl)-diphenyl-methyl]benzene
IUPAC Name: [(benzyldisulfanyl)-diphenylmethyl]benzene
SYSTEMATIC NAME: [diphenyl-[(phenylmethyl)disulfanyl]methyl]benzene
MOLECULAR FORMULA: C26H22S2
MOLECULAR WEIGHT: 398.58288
SMILES: C1=CC=C(C=C1)CSSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 84906-81-0
CAS Name: 2-[(triphenylmethyl)thio]acetic acid methyl ester
OPENEYE Name: methyl 2-tritylsulfanylacetate
IUPAC Name: methyl 2-tritylsulfanylacetate
SYSTEMATIC NAME: methyl 2-(triphenylmethyl)sulfanylethanoate
MOLECULAR FORMULA: C22H20O2S
MOLECULAR WEIGHT: 348.458
SMILES: COC(=O)CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 27144-18-9
CAS Name: 3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: 3-tritylsulfanylpropanoic acid
IUPAC Name: 3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: 3-(triphenylmethyl)sulfanylpropanoic acid
MOLECULAR FORMULA: C22H20O2S
MOLECULAR WEIGHT: 348.458
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
Structure:
CAS RN: 1095-85-8
CAS Name: 2-[(triphenylmethyl)thio]ethanamine
OPENEYE Name: 2-tritylsulfanylethanamine
IUPAC Name: 2-tritylsulfanylethanamine
SYSTEMATIC NAME: 2-(triphenylmethyl)sulfanylethanamine
MOLECULAR FORMULA: C21H21NS
MOLECULAR WEIGHT: 319.46314
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN
Structure:
CAS RN: 23853-95-4
CAS Name: 2-(phenyldisulfanyl)naphthalene
OPENEYE Name: 2-(phenyldisulfanyl)naphthalene
IUPAC Name: 2-(phenyldisulfanyl)naphthalene
SYSTEMATIC NAME: 2-(phenyldisulfanyl)naphthalene
MOLECULAR FORMULA: C16H12S2
MOLECULAR WEIGHT: 268.39648
SMILES: C1=CC=C(C=C1)SSC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 6127-21-5
CAS Name: 2,4-dinitro-1-[(phenylmethyl)disulfanyl]benzene
OPENEYE Name: 1-(benzyldisulfanyl)-2,4-dinitro-benzene
IUPAC Name: 1-(benzyldisulfanyl)-2,4-dinitrobenzene
SYSTEMATIC NAME: 2,4-dinitro-1-[(phenylmethyl)disulfanyl]benzene
MOLECULAR FORMULA: C13H10N2O4S2
MOLECULAR WEIGHT: 322.3595
SMILES: C1=CC=C(C=C1)CSSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 90814-91-8
CAS Name: 1-(tert-butyldisulfanyl)-2,4-dinitrobenzene
OPENEYE Name: 1-(tert-butyldisulfanyl)-2,4-dinitro-benzene
IUPAC Name: 1-(tert-butyldisulfanyl)-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(tert-butyldisulfanyl)-2,4-dinitro-benzene
MOLECULAR FORMULA: C10H12N2O4S2
MOLECULAR WEIGHT: 288.34328
SMILES: CC(C)(C)SSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 717-19-1
CAS Name: 2-amino-3-(benzoylthio)propanoic acid
OPENEYE Name: 2-amino-3-benzoylsulfanyl-propanoic acid
IUPAC Name: 2-amino-3-benzoylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(phenylcarbonylsulfanyl)propanoic acid
MOLECULAR FORMULA: C10H11NO3S
MOLECULAR WEIGHT: 225.26424
SMILES: C1=CC=C(C=C1)C(=O)SCC(C(=O)O)N
Structure:
CAS RN: 402-91-5
CAS Name: 3-[[2-carboxy-2-[(2,2,2-trifluoro-1-oxoethyl)amino]ethyl]disulfanyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid
OPENEYE Name: 3-[[2-carboxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
IUPAC Name: 3-[[2-carboxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[[3-oxidanyl-3-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]propyl]disulfanyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoic acid
MOLECULAR FORMULA: C10H10F6N2O6S2
MOLECULAR WEIGHT: 432.316619
SMILES: C(C(C(=O)O)NC(=O)C(F)(F)F)SSCC(C(=O)O)NC(=O)C(F)(F)F
Structure:
CAS RN: 3513-48-2
CAS Name: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid
OPENEYE Name: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid
IUPAC Name: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[(2,4-dinitrophenyl)disulfanyl]propanoic acid
MOLECULAR FORMULA: C9H8N2O6S2
MOLECULAR WEIGHT: 304.29962
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSCCC(=O)O
Structure:
CAS RN: 14001-60-6
CAS Name: ethanethioic acid S-(3-oxobutyl) ester
OPENEYE Name: S-(3-oxobutyl) ethanethioate
IUPAC Name: S-(3-oxobutyl) ethanethioate
SYSTEMATIC NAME: S-(3-oxidanylidenebutyl) ethanethioate
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: CC(=O)CCSC(=O)C
Structure:
CAS RN: 41345-70-4
CAS Name: 3-(acetylthio)propanoic acid
OPENEYE Name: 3-acetylsulfanylpropanoic acid
IUPAC Name: 3-acetylsulfanylpropanoic acid
SYSTEMATIC NAME: 3-ethanoylsulfanylpropanoic acid
MOLECULAR FORMULA: C5H8O3S
MOLECULAR WEIGHT: 148.18022
SMILES: CC(=O)SCCC(=O)O
Structure:
CAS RN: 23836-43-3
CAS Name: carbonic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethyl ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethyl carbonate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethyl carbonate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethyl carbonate
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: CCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Structure:
CAS RN: 35190-57-9
CAS Name: 2,2,4-trimethyl-1,5-dihydro-1,5-benzodiazepine
OPENEYE Name: 2,2,4-trimethyl-1,5-dihydro-1,5-benzodiazepine
IUPAC Name: 2,2,4-trimethyl-1,5-dihydro-1,5-benzodiazepine
SYSTEMATIC NAME: 2,2,4-trimethyl-1,5-dihydro-1,5-benzodiazepine
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: CC1=CC(NC2=CC=CC=C2N1)(C)C
Structure:
CAS RN: 16386-35-9
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-butanamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC(=O)CC(=O)NCC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 84015-55-4
CAS Name: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
IUPAC Name: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)OC
Structure:
CAS RN: 19298-29-4
CAS Name: 4-phenyl-2,3-benzoxazin-1-one
OPENEYE Name: 4-phenyl-2,3-benzoxazin-1-one
IUPAC Name: 4-phenyl-2,3-benzoxazin-1-one
SYSTEMATIC NAME: 4-phenyl-2,3-benzoxazin-1-one
MOLECULAR FORMULA: C14H9NO2
MOLECULAR WEIGHT: 223.22676
SMILES: C1=CC=C(C=C1)C2=NOC(=O)C3=CC=CC=C32
Structure:
CAS RN: 40419-44-1
CAS Name: 1-(5-hydroxy-2-methylphenyl)ethanone
OPENEYE Name: 1-(5-hydroxy-2-methyl-phenyl)ethanone
IUPAC Name: 1-(5-hydroxy-2-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-methyl-5-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=C(C=C(C=C1)O)C(=O)C
Structure:
CAS RN: 551-55-3
CAS Name: 2-(1H-indol-3-yl)acetic acid hexyl ester
OPENEYE Name: hexyl 2-(1H-indol-3-yl)acetate
IUPAC Name: hexyl 2-(1H-indol-3-yl)acetate
SYSTEMATIC NAME: hexyl 2-(1H-indol-3-yl)ethanoate
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CCCCCCOC(=O)CC1=CNC2=CC=CC=C21
Structure:
CAS RN: 5570-00-3
CAS Name: 3-methyl-2-[[oxo(2-quinoxalinyl)methyl]amino]pentanoic acid
OPENEYE Name: 3-methyl-2-(quinoxaline-2-carbonylamino)pentanoic acid
IUPAC Name: 3-methyl-2-(quinoxaline-2-carbonylamino)pentanoic acid
SYSTEMATIC NAME: 3-methyl-2-(quinoxalin-2-ylcarbonylamino)pentanoic acid
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CCC(C)C(C(=O)O)NC(=O)C1=NC2=CC=CC=C2N=C1
Structure:
CAS RN: 6270-40-2
CAS Name: 1-(4-methoxyphenyl)-3-(2,3,5,6-tetramethylphenyl)isobenzofuran
OPENEYE Name: 1-(4-methoxyphenyl)-3-(2,3,5,6-tetramethylphenyl)isobenzofuran
IUPAC Name: 1-(4-methoxyphenyl)-3-(2,3,5,6-tetramethylphenyl)-2-benzofuran
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-(2,3,5,6-tetramethylphenyl)-2-benzofuran
MOLECULAR FORMULA: C25H24O2
MOLECULAR WEIGHT: 356.45686
SMILES: CC1=CC(=C(C(=C1C)C2=C3C=CC=CC3=C(O2)C4=CC=C(C=C4)OC)C)C
Structure:
CAS RN: 3980-50-5
CAS Name: 3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-methyl-4-piperidinone
OPENEYE Name: 3,5-bis[[4-(dimethylamino)phenyl]methylene]-1-methyl-piperidin-4-one
IUPAC Name: 3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
SYSTEMATIC NAME: 3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-methyl-piperidin-4-one
MOLECULAR FORMULA: C24H29N3O
MOLECULAR WEIGHT: 375.50656
SMILES: CN1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1
Structure:
CAS RN: 54401-76-2
CAS Name: 4-oxoquinolizine-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 4-oxoquinolizine-1,3-dicarboxylate
IUPAC Name: diethyl 4-oxoquinolizine-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 4-oxidanylidenequinolizine-1,3-dicarboxylate
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: CCOC(=O)C1=CC(=C2C=CC=CN2C1=O)C(=O)OCC
Structure:
CAS RN: 54243-49-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H42N2O4S
MOLECULAR WEIGHT: 466.67698
SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1CCN2CC3CC(C2C1)CN4C3CCCC4
Structure:
CAS RN: 54335-82-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H42N2O4S
MOLECULAR WEIGHT: 466.67698
SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1CCN2CC3CC(C2C1)CN4C3CCCC4
Structure:
CAS RN: 1655-65-8
CAS Name: 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-hydroxy-butanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C10H11N3O7
MOLECULAR WEIGHT: 285.21024
SMILES: CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 16068-25-0
CAS Name: 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)-3-hydroxy-butanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C10H11N3O7
MOLECULAR WEIGHT: 285.21024
SMILES: CC(C(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O
Structure:
CAS RN: 3434-24-0
CAS Name: 2-(butylthio)-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
OPENEYE Name: 3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
IUPAC Name: 3-benzyl-2-butylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
SYSTEMATIC NAME: 2-butylsulfanyl-3-(phenylmethyl)-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
MOLECULAR FORMULA: C16H18N4O2S
MOLECULAR WEIGHT: 330.40472
SMILES: CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NNC2=O
Structure:
CAS RN: 60133-51-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C1C2CC3C1C(C2)OC3=O
Structure:
CAS RN: 2140-61-6
CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2-pyrimidinone
OPENEYE Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O5
MOLECULAR WEIGHT: 257.2432
SMILES: CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 6829-31-8
CAS Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-2-pyrimidinone
OPENEYE Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
IUPAC Name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
MOLECULAR FORMULA: C10H15N3O5
MOLECULAR WEIGHT: 257.2432
SMILES: CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 25870-73-9
CAS Name: 1-(4-aminophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: 1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: 1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 6035-40-1
CAS Name: (3R)-6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
IUPAC Name: (3R)-6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C22H23NO7
MOLECULAR WEIGHT: 413.42052
SMILES: CN1CCC2=CC3=C(C(=C2[C@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
Structure:
CAS RN: 15257-87-1
CAS Name: N-(2-chloroethyl)-3,4-dimethylbenzamide
OPENEYE Name: N-(2-chloroethyl)-3,4-dimethyl-benzamide
IUPAC Name: N-(2-chloroethyl)-3,4-dimethylbenzamide
SYSTEMATIC NAME: N-(2-chloroethyl)-3,4-dimethyl-benzamide
MOLECULAR FORMULA: C11H14ClNO
MOLECULAR WEIGHT: 211.68796
SMILES: CC1=C(C=C(C=C1)C(=O)NCCCl)C
Structure:
CAS RN: 15317-17-6
CAS Name: 3,4-dichloro-N-(2-chloroethyl)benzamide
OPENEYE Name: 3,4-dichloro-N-(2-chloroethyl)benzamide
IUPAC Name: 3,4-dichloro-N-(2-chloroethyl)benzamide
SYSTEMATIC NAME: 3,4-bis(chloranyl)-N-(2-chloroethyl)benzamide
MOLECULAR FORMULA: C9H8Cl3NO
MOLECULAR WEIGHT: 252.52492
SMILES: C1=CC(=C(C=C1C(=O)NCCCl)Cl)Cl
Structure:
CAS RN: 27761-65-5
CAS Name: 2,4-dibromo-3,6-dichloroaniline
OPENEYE Name: 2,4-dibromo-3,6-dichloro-aniline
IUPAC Name: 2,4-dibromo-3,6-dichloroaniline
SYSTEMATIC NAME: 2,4-bis(bromanyl)-3,6-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H3Br2Cl2N
MOLECULAR WEIGHT: 319.80872
SMILES: C1=C(C(=C(C(=C1Br)Cl)Br)N)Cl
Structure:
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