Product OPENEYE NAME: 4-acetyl-5-hydroxy-1-benzothiepin-3-one
CAS Name: 4-acetyl-5-hydroxy-1-benzothiepin-3-one
IUPAC NAME: 4-acetyl-5-hydroxy-1-benzothiepin-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-1-benzothiepin-3-one
MOLECULAR FORMULA: C12H10O3S
MOLECULAR WEIGHT: 234.271
SMILES: CC(=O)C1=C(C2=CC=CC=C2SCC1=O)O
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Product OPENEYE NAME: 4-acetyl-5-hydroxy-1-oxo-1$l^{4}-benzothiepin-3-one
CAS Name: 4-acetyl-5-hydroxy-1-oxo-1$l^{4}-benzothiepin-3-one
IUPAC NAME: 4-acetyl-5-hydroxy-1-oxo-1$l^{4}-benzothiepin-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-1-oxidanylidene-1$l^{4}-benzothiepin-3-one
MOLECULAR FORMULA: C12H10O4S
MOLECULAR WEIGHT: 250.2704
SMILES: CC(=O)C1=C(C2=CC=CC=C2S(=O)CC1=O)O
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Product OPENEYE NAME: 4-acetyl-5-hydroxy-1,1-dioxo-1$l^{6}-benzothiepin-3-one
CAS Name: 4-acetyl-5-hydroxy-1,1-dioxo-1$l^{6}-benzothiepin-3-one
IUPAC NAME: 4-acetyl-5-hydroxy-1,1-dioxo-1$l^{6}-benzothiepin-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6}-benzothiepin-3-one
MOLECULAR FORMULA: C12H10O5S
MOLECULAR WEIGHT: 266.2698
SMILES: CC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)CC1=O)O
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Product OPENEYE NAME: ethyl (Z)-3-(methylamino)-2-(2-phenoxyacetyl)but-2-enoate
CAS Name: (Z)-3-(methylamino)-2-(1-oxo-2-phenoxyethyl)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(methylamino)-2-(2-phenoxyacetyl)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(methylamino)-2-(2-phenoxyethanoyl)but-2-enoate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=CC=CC=C1
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Product OPENEYE NAME: ethyl (2Z)-2-[1-(methylamino)ethylidene]-3-oxo-5-phenyl-pentanoate
CAS Name: (2Z)-2-[1-(methylamino)ethylidene]-3-oxo-5-phenylpentanoic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-[1-(methylamino)ethylidene]-3-oxo-5-phenylpentanoate
SYSTEMATIC NAME: ethyl (2Z)-2-[1-(methylamino)ethylidene]-3-oxidanylidene-5-phenyl-pentanoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)CCC1=CC=CC=C1
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Product OPENEYE NAME: ethyl (Z)-3-(methylamino)-2-(2-phenylsulfanylacetyl)but-2-enoate
CAS Name: (Z)-3-(methylamino)-2-[1-oxo-2-(phenylthio)ethyl]-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(methylamino)-2-(2-phenylsulfanylacetyl)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(methylamino)-2-(2-phenylsulfanylethanoyl)but-2-enoate
MOLECULAR FORMULA: C15H19NO3S
MOLECULAR WEIGHT: 293.38126
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)CSC1=CC=CC=C1
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Product OPENEYE NAME: ethyl (Z)-3-(methylamino)-2-[2-(2-methylphenoxy)acetyl]but-2-enoate
CAS Name: (Z)-3-(methylamino)-2-[2-(2-methylphenoxy)-1-oxoethyl]-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(methylamino)-2-[2-(2-methylphenoxy)acetyl]but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(methylamino)-2-[2-(2-methylphenoxy)ethanoyl]but-2-enoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=CC=CC=C1C
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Product OPENEYE NAME: ethyl (Z)-3-(methylamino)-2-[2-(4-methylphenoxy)acetyl]but-2-enoate
CAS Name: (Z)-3-(methylamino)-2-[2-(4-methylphenoxy)-1-oxoethyl]-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(methylamino)-2-[2-(4-methylphenoxy)acetyl]but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(methylamino)-2-[2-(4-methylphenoxy)ethanoyl]but-2-enoate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=CC=C(C=C1)C
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Product OPENEYE NAME: ethyl (Z)-2-[2-(2,5-dimethylphenoxy)acetyl]-3-(methylamino)but-2-enoate
CAS Name: (Z)-2-[2-(2,5-dimethylphenoxy)-1-oxoethyl]-3-(methylamino)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-[2-(2,5-dimethylphenoxy)acetyl]-3-(methylamino)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-[2-(2,5-dimethylphenoxy)ethanoyl]-3-(methylamino)but-2-enoate
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=C(C=CC(=C1)C)C
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Product OPENEYE NAME: ethyl (Z)-2-[2-(4-chlorophenoxy)acetyl]-3-(methylamino)but-2-enoate
CAS Name: (Z)-2-[2-(4-chlorophenoxy)-1-oxoethyl]-3-(methylamino)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-[2-(4-chlorophenoxy)acetyl]-3-(methylamino)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-[2-(4-chloranylphenoxy)ethanoyl]-3-(methylamino)but-2-enoate
MOLECULAR FORMULA: C15H18ClNO4
MOLECULAR WEIGHT: 311.76072
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: ethyl (Z)-2-[2-(3-methoxyphenoxy)acetyl]-3-(methylamino)but-2-enoate
CAS Name: (Z)-2-[2-(3-methoxyphenoxy)-1-oxoethyl]-3-(methylamino)-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-[2-(3-methoxyphenoxy)acetyl]-3-(methylamino)but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-[2-(3-methoxyphenoxy)ethanoyl]-3-(methylamino)but-2-enoate
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CCOC(=O)/C(=C(/C)\NC)/C(=O)COC1=CC=CC(=C1)OC
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Product OPENEYE NAME: [(3S,5S,8R,9S,10S,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,8R,9S,10S,13S,16R)-16-bromo-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,16R)-16-bromanyl-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H31BrO3
MOLECULAR WEIGHT: 411.37304
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3C[C@H](C4=O)Br)C)C
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