Product OPENEYE NAME: O1-[(2-chloroacetyl)-(3-ethoxy-3-oxo-propyl)amino] O3-ethyl 2-ethylpropanedioate
CAS Name: 2-ethylpropanedioic acid O1-[(2-chloro-1-oxoethyl)-(3-ethoxy-3-oxopropyl)amino] ester O3-ethyl ester
IUPAC NAME: 1-O-[(2-chloroacetyl)-(3-ethoxy-3-oxopropyl)amino] 3-O-ethyl 2-ethylpropanedioate
SYSTEMATIC NAME: O1-[2-chloranylethanoyl-(3-ethoxy-3-oxidanylidene-propyl)amino] O3-ethyl 2-ethylpropanedioate
MOLECULAR FORMULA: C14H22ClNO7
MOLECULAR WEIGHT: 351.77998
SMILES: CCC(C(=O)OCC)C(=O)ON(CCC(=O)OCC)C(=O)CCl
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Product OPENEYE NAME: 3-(hydroxymethyl)-4-phenyl-azetidin-2-one
CAS Name: 3-(hydroxymethyl)-4-phenyl-2-azetidinone
IUPAC NAME: 3-(hydroxymethyl)-4-phenylazetidin-2-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-4-phenyl-azetidin-2-one
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1=CC=C(C=C1)C2C(C(=O)N2)CO
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Product OPENEYE NAME: 2-(2-oxo-4-phenyl-azetidin-3-yl)acetonitrile
CAS Name: 2-(2-oxo-4-phenyl-3-azetidinyl)acetonitrile
IUPAC NAME: 2-(2-oxo-4-phenylazetidin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-oxidanylidene-4-phenyl-azetidin-3-yl)ethanenitrile
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C(C=C1)C2C(C(=O)N2)CC#N
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Product OPENEYE NAME: O1-(benzylamino) O3-ethyl 2-ethylpropanedioate hydrochloride
CAS Name: 2-ethylpropanedioic acid O1-ethyl ester O3-[(phenylmethyl)amino] ester hydrochloride
IUPAC NAME: 1-O-(benzylamino) 3-O-ethyl 2-ethylpropanedioate hydrochloride
SYSTEMATIC NAME: O1-ethyl O3-[(phenylmethyl)amino] 2-ethylpropanedioate hydrochloride
MOLECULAR FORMULA: C14H20ClNO4
MOLECULAR WEIGHT: 301.7659
SMILES: CCC(C(=O)OCC)C(=O)ONCC1=CC=CC=C1.Cl
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Product OPENEYE NAME: O1-(benzylamino) O3-ethyl 2-ethylpropanedioate
CAS Name: 2-ethylpropanedioic acid O1-ethyl ester O3-[(phenylmethyl)amino] ester
IUPAC NAME: 1-O-(benzylamino) 3-O-ethyl 2-ethylpropanedioate
SYSTEMATIC NAME: O1-ethyl O3-[(phenylmethyl)amino] 2-ethylpropanedioate
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CCC(C(=O)OCC)C(=O)ONCC1=CC=CC=C1
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Product OPENEYE NAME: ethyl 1-benzyl-2-oxo-azetidin-1-ium-1-carboxylate
CAS Name: 2-oxo-1-(phenylmethyl)-1-azetidin-1-iumcarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-benzyl-2-oxoazetidin-1-ium-1-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylidene-1-(phenylmethyl)azetidin-1-ium-1-carboxylate
MOLECULAR FORMULA: C13H16NO3+
MOLECULAR WEIGHT: 234.27104
SMILES: CCOC(=O)[N+]1(CCC1=O)CC2=CC=CC=C2
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Product OPENEYE NAME: 3-(chloromethyl)-4-phenyl-azetidin-2-one
CAS Name: 3-(chloromethyl)-4-phenyl-2-azetidinone
IUPAC NAME: 3-(chloromethyl)-4-phenylazetidin-2-one
SYSTEMATIC NAME: 3-(chloromethyl)-4-phenyl-azetidin-2-one
MOLECULAR FORMULA: C10H10ClNO
MOLECULAR WEIGHT: 195.6455
SMILES: C1=CC=C(C=C1)C2C(C(=O)N2)CCl
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Product OPENEYE NAME: ethyl 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-4-oxo-azetidine-2-carboxylate
CAS Name: 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-4-oxo-2-azetidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: ethyl 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-4-oxidanylidene-azetidine-2-carboxylate
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: CCC1(CC(=O)N1CC2=C(C=C(C=C2)OC)OC)C(=O)OCC
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Product OPENEYE NAME: (2-benzyl-4-oxo-azetidin-3-yl)methyl methanesulfonate
CAS Name: methanesulfonic acid [2-oxo-4-(phenylmethyl)-3-azetidinyl]methyl ester
IUPAC NAME: (2-benzyl-4-oxoazetidin-3-yl)methyl methanesulfonate
SYSTEMATIC NAME: [2-oxidanylidene-4-(phenylmethyl)azetidin-3-yl]methyl methanesulfonate
MOLECULAR FORMULA: C12H15NO4S
MOLECULAR WEIGHT: 269.3168
SMILES: CS(=O)(=O)OCC1C(NC1=O)CC2=CC=CC=C2
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Product OPENEYE NAME: 4-benzhydryl-3-(hydroxymethyl)azetidin-2-one
CAS Name: 4-(diphenylmethyl)-3-(hydroxymethyl)-2-azetidinone
IUPAC NAME: 4-benzhydryl-3-(hydroxymethyl)azetidin-2-one
SYSTEMATIC NAME: 4-(diphenylmethyl)-3-(hydroxymethyl)azetidin-2-one
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: C1=CC=C(C=C1)C(C2C(C(=O)N2)CO)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 3-[3-(methylsulfonyloxymethyl)-4-oxo-azetidin-2-yl]propanoate
CAS Name: 3-[3-(methylsulfonyloxymethyl)-4-oxo-2-azetidinyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[3-(methylsulfonyloxymethyl)-4-oxoazetidin-2-yl]propanoate
SYSTEMATIC NAME: ethyl 3-[3-(methylsulfonyloxymethyl)-4-oxidanylidene-azetidin-2-yl]propanoate
MOLECULAR FORMULA: C10H17NO6S
MOLECULAR WEIGHT: 279.31008
SMILES: CCOC(=O)CCC1C(C(=O)N1)COS(=O)(=O)C
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Product OPENEYE NAME: ethyl 1-benzyl-2-ethyl-4-oxo-azetidine-2-carboxylate
CAS Name: 2-ethyl-4-oxo-1-(phenylmethyl)-2-azetidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-benzyl-2-ethyl-4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: ethyl 2-ethyl-4-oxidanylidene-1-(phenylmethyl)azetidine-2-carboxylate
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CCC1(CC(=O)N1CC2=CC=CC=C2)C(=O)OCC
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Product OPENEYE NAME: 1-isopropylanthracene-9,10-dione
CAS Name: 1-propan-2-ylanthracene-9,10-dione
IUPAC NAME: 1-propan-2-ylanthracene-9,10-dione
SYSTEMATIC NAME: 1-propan-2-ylanthracene-9,10-dione
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CC(C)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 3,7,15-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS Name: 3,7,15-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC NAME: 3,7,15-trihydroxy-10,13-dimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 10,13-dimethyl-3,7,15-tris(oxidanyl)-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CC12CCC3C(C1C(CC2=O)O)C(CC4C3(C=CC(C4)O)C)O
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Product OPENEYE NAME: [15-(2,2-dimethylpropanoyloxy)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid [15-(2,2-dimethyl-1-oxopropoxy)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [15-(2,2-dimethylpropanoyloxy)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [15-(2,2-dimethylpropanoyloxy)-10,13-dimethyl-7-oxidanyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C29H44O6
MOLECULAR WEIGHT: 488.65606
SMILES: CC12CCC(CC1=CC(C3C2CCC4(C3C(CC4=O)OC(=O)C(C)(C)C)C)O)OC(=O)C(C)(C)C
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Product OPENEYE NAME: 3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS Name: 3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC NAME: 3,7,15-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 10,13-dimethyl-3,7,15-tris(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CC12CCC(CC1=CC(C3C2CCC4(C3C(CC4=O)O)C)O)O
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Product OPENEYE NAME: 16-bromo-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-dioxolane]-3-ol
CAS Name: 16-bromo-10,13-dimethyl-3-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-dioxolane]ol
IUPAC NAME: 16-bromo-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-dioxolane]-3-ol
SYSTEMATIC NAME: 16-bromanyl-10,13-dimethyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,3'-1,2-dioxolane]-3-ol
MOLECULAR FORMULA: C21H31BrO3
MOLECULAR WEIGHT: 411.37304
SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC(C45CCOO5)Br)C)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C24H23FN2O6S
MOLECULAR WEIGHT: 486.512623
SMILES: CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC(=C(C=C3)OC)F
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-3-methylsulfanyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(methylthio)propanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid
MOLECULAR FORMULA: C17H20FNO6S2
MOLECULAR WEIGHT: 417.472203
SMILES: CC(=O)SC(CC(=O)NC(CSC)C(=O)O)C(=O)C1=CC(=C(C=C1)OC)F
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Product OPENEYE NAME: 2-[(3-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)-methyl-amino]acetic acid
CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-phenylbutyl]-methylamino]acetic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-4-oxo-4-phenylbutanoyl)-methylamino]acetic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C15H17NO5S
MOLECULAR WEIGHT: 323.36418
SMILES: CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]-3-phenylpropanoic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C22H23NO5S
MOLECULAR WEIGHT: 413.48672
SMILES: CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-methylpentanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C19H24FNO6S
MOLECULAR WEIGHT: 413.460363
SMILES: CC(C)CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)OC)F)SC(=O)C
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Product OPENEYE NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]propanoic acid
CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]propanoic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]propanoic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]propanoic acid
MOLECULAR FORMULA: C16H19NO5S
MOLECULAR WEIGHT: 337.39076
SMILES: CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)NC(C)C(=O)O
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