CAS RN: 5412-14-6
CAS Name: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(2-oxiranyl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
OPENEYE Name: (6R,9S,12S)-6-[(4-methoxyphenyl)methyl]-3-[(1S)-1-methylpropyl]-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
IUPAC Name: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (6R,9S,12S)-3-[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-9-[6-oxidanylidene-6-(oxiran-2-yl)hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C32H46N4O7
MOLECULAR WEIGHT: 598.73024
SMILES: CC[C@H](C)C1C(=O)N2CCCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)CCCCCC(=O)C4CO4
Structure:
CAS RN: 5410-82-2
CAS Name: 2-(2-phenylethoxy)acetaldehyde
OPENEYE Name: 2-(2-phenylethoxy)acetaldehyde
IUPAC Name: 2-(2-phenylethoxy)acetaldehyde
SYSTEMATIC NAME: 2-(2-phenylethoxy)ethanal
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1=CC=C(C=C1)CCOCC=O
Structure:
CAS RN: 54108-27-9
CAS Name: 2-(2-phenylethoxy)acetaldehyde
OPENEYE Name: 2-(2-phenylethoxy)acetaldehyde
IUPAC Name: 2-(2-phenylethoxy)acetaldehyde
SYSTEMATIC NAME: 2-(2-phenylethoxy)ethanal
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1=CC=C(C=C1)CCOCC=O
Structure:
CAS RN: 15418-25-4
CAS Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate
OPENEYE Name: chromic sodium 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate
IUPAC Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
SYSTEMATIC NAME: sodium; chromium(3+); 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate
MOLECULAR FORMULA: C34H24CrN8NaO6
MOLECULAR WEIGHT: 715.59023
SMILES: CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 41741-86-0
CAS Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate
OPENEYE Name: chromic sodium 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate
IUPAC Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
SYSTEMATIC NAME: sodium; chromium(3+); 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate
MOLECULAR FORMULA: C34H24CrN8NaO6
MOLECULAR WEIGHT: 715.59023
SMILES: CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 96447-49-3
CAS Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate
OPENEYE Name: chromic sodium 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate
IUPAC Name: sodium; chromium(3+); 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
SYSTEMATIC NAME: sodium; chromium(3+); 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate
MOLECULAR FORMULA: C34H24CrN8NaO6
MOLECULAR WEIGHT: 715.59023
SMILES: CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3]
Structure:
CAS RN: 5408-18-4
CAS Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
OPENEYE Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
IUPAC Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
SYSTEMATIC NAME: [(1S,2R,4S,5R)-2,3,4-tris(oxidanyl)-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H15O15P3
MOLECULAR WEIGHT: 420.095583
SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
Structure:
CAS RN: 5408-20-8
CAS Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
OPENEYE Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
IUPAC Name: [(1S,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
SYSTEMATIC NAME: [(1S,2R,4S,5R)-2,3,4-tris(oxidanyl)-5,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
MOLECULAR FORMULA: C6H15O15P3
MOLECULAR WEIGHT: 420.095583
SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
Structure:
CAS RN: 41575-87-5
CAS Name: ammonia; platinum(2+); dinitrate
OPENEYE Name: ammonia; platinum(2+); dinitrate
IUPAC Name: azane; platinum(2+); dinitrate
SYSTEMATIC NAME: azane; platinum(2+); dinitrate
MOLECULAR FORMULA: H6N4O6Pt
MOLECULAR WEIGHT: 353.14884
SMILES: N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pt+2]
Structure:
CAS RN: 122371-47-5
CAS Name: N-(4-anilinophenyl)-2-methyl-2-propenamide
OPENEYE Name: N-(4-anilinophenyl)-2-methyl-prop-2-enamide
IUPAC Name: N-(4-anilinophenyl)-2-methylprop-2-enamide
SYSTEMATIC NAME: 2-methyl-N-(4-phenylazanylphenyl)prop-2-enamide
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: CC(=C)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2
Structure:
CAS RN: 5402-53-9
CAS Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,11R,13R,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O
Structure:
CAS RN: 5402-56-2
CAS Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,11R,13R,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O
Structure:
CAS RN: 41365-32-6
CAS Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,7-dimethoxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 6,7-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
Structure:
CAS RN: 41349-15-9
CAS Name: ammonia; oxalate; platinum(2+)
OPENEYE Name: ammonia; oxalate; platinum(2+)
IUPAC Name: azane; oxalate; platinum(2+)
SYSTEMATIC NAME: azane; ethanedioate; platinum(2+)
MOLECULAR FORMULA: C2H6N2O4Pt
MOLECULAR WEIGHT: 317.15804
SMILES: C(=O)(C(=O)[O-])[O-].N.N.[Pt+2]
Structure:
CAS RN: 41317-15-1
CAS Name: 4-methoxy-2-methyl-N-phenylaniline
OPENEYE Name: 4-methoxy-2-methyl-N-phenyl-aniline
IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline
SYSTEMATIC NAME: 4-methoxy-2-methyl-N-phenyl-aniline
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
Structure:
CAS RN: 41284-31-5
CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] ester O1-methyl ester
OPENEYE Name: O4-[2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methyl-anilino]ethyl] O1-methyl benzene-1,4-dicarboxylate
IUPAC Name: 4-O-[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] 1-O-methyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: O4-[2-[[4-(2,2-dicyanoethenyl)-3-methyl-phenyl]-ethyl-amino]ethyl] O1-methyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C24H23N3O4
MOLECULAR WEIGHT: 417.45712
SMILES: CCN(CCOC(=O)C1=CC=C(C=C1)C(=O)OC)C2=CC(=C(C=C2)C=C(C#N)C#N)C
Structure:
CAS RN: 60005-87-0
CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] ester O1-methyl ester
OPENEYE Name: O4-[2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methyl-anilino]ethyl] O1-methyl benzene-1,4-dicarboxylate
IUPAC Name: 4-O-[2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl] 1-O-methyl benzene-1,4-dicarboxylate
SYSTEMATIC NAME: O4-[2-[[4-(2,2-dicyanoethenyl)-3-methyl-phenyl]-ethyl-amino]ethyl] O1-methyl benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C24H23N3O4
MOLECULAR WEIGHT: 417.45712
SMILES: CCN(CCOC(=O)C1=CC=C(C=C1)C(=O)OC)C2=CC(=C(C=C2)C=C(C#N)C#N)C
Structure:
CAS RN: 53704-10-2
CAS Name: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium acetate
OPENEYE Name: [4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium acetate
IUPAC Name: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate
SYSTEMATIC NAME: [4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium ethanoate
MOLECULAR FORMULA: C25H28N2O2
MOLECULAR WEIGHT: 388.50202
SMILES: CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
Structure:
CAS RN: 53701-28-3
CAS Name: 2-formamidobenzoic acid methyl ester
OPENEYE Name: methyl 2-formamidobenzoate
IUPAC Name: methyl 2-formamidobenzoate
SYSTEMATIC NAME: methyl 2-formamidobenzoate
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: COC(=O)C1=CC=CC=C1NC=O
Structure:
CAS RN: 92759-38-1
CAS Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
OPENEYE Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
IUPAC Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SYSTEMATIC NAME: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1(CCC=C2C1CCC(C2)(C)O)C
Structure:
CAS RN: 92762-44-2
CAS Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
OPENEYE Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
IUPAC Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SYSTEMATIC NAME: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1(CCC=C2C1CCC(C2)(C)O)C
Structure:
CAS RN: 41199-19-3
CAS Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
OPENEYE Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
IUPAC Name: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
SYSTEMATIC NAME: 2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1(CCC=C2C1CCC(C2)(C)O)C
Structure:
CAS RN: 53640-74-7
CAS Name: 1,8-dimethyl-9-fluorenone
OPENEYE Name: 1,8-dimethylfluoren-9-one
IUPAC Name: 1,8-dimethylfluoren-9-one
SYSTEMATIC NAME: 1,8-dimethylfluoren-9-one
MOLECULAR FORMULA: C15H12O
MOLECULAR WEIGHT: 208.25518
SMILES: CC1=CC=CC2=C1C(=O)C3=C2C=CC=C3C
Structure:
CAS RN: 207128-22-1
CAS Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O4
MOLECULAR WEIGHT: 230.193043
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)F
Structure:
CAS RN: 53604-15-2
CAS Name: 1-[(2R,5S)-5-(3-furanyl)-2-methyl-2-oxolanyl]-2-propanone
OPENEYE Name: 1-[(2R,5S)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]propan-2-one
IUPAC Name: 1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]propan-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(furan-3-yl)-2-methyl-oxolan-2-yl]propan-2-one
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(=O)C[C@]1(CC[C@H](O1)C2=COC=C2)C
Structure:
CAS RN: 53604-48-1
CAS Name: 1-[(2R,5S)-5-(3-furanyl)-2-methyl-2-oxolanyl]-2-propanone
OPENEYE Name: 1-[(2R,5S)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]propan-2-one
IUPAC Name: 1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]propan-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(furan-3-yl)-2-methyl-oxolan-2-yl]propan-2-one
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(=O)C[C@]1(CC[C@H](O1)C2=COC=C2)C
Structure:
CAS RN: 53566-98-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H35NO4
MOLECULAR WEIGHT: 437.5711
SMILES: C[C@H]1C[C@]23[C@@H]4[C@]5(C=C[C@@]2(C[C@@H]5C(C)(C)O)C(N1CC6CC6)CC7=C3C(=C(C=C7)O)O4)OC
Structure:
CAS RN: 53566-99-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H35NO4
MOLECULAR WEIGHT: 437.5711
SMILES: C[C@H]1C[C@]23[C@@H]4[C@]5(C=C[C@@]2(C[C@@H]5C(C)(C)O)C(N1CC6CC6)CC7=C3C(=C(C=C7)O)O4)OC
Structure:
CAS RN: 5350-55-0
CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
OPENEYE Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C19H23ClN2O3S
MOLECULAR WEIGHT: 394.91552
SMILES: CNCCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 5350-59-4
CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
OPENEYE Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one hydrochloride
MOLECULAR FORMULA: C19H23ClN2O3S
MOLECULAR WEIGHT: 394.91552
SMILES: CNCCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 5350-43-6
CAS Name: (7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
OPENEYE Name: (7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
IUPAC Name: (7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SYSTEMATIC NAME: (7aS)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: C1C[C@H]2C(=O)NC(=O)N2C1
Structure:
CAS RN: 53498-59-2
CAS Name: (4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f]benzofuran-7-carboxylic acid
OPENEYE Name: (4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f]benzofuran-7-carboxylic acid
IUPAC Name: (4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid
SYSTEMATIC NAME: (4aS,5R,6R,6aR,7S,11aS,11bR)-4,4,11b-trimethyl-5,6-bis(oxidanyl)-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C[C@]12CCCC([C@@H]1[C@H]([C@@H]([C@@H]3[C@@H]2CC4=C([C@H]3C(=O)O)C=CO4)O)O)(C)C
Structure:
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