Product OPENEYE NAME: (5-acetoxy-2,4-dichloro-phenyl) acetate
CAS Name: acetic acid (5-acetyloxy-2,4-dichlorophenyl) ester
IUPAC NAME: (5-acetyloxy-2,4-dichlorophenyl) acetate
SYSTEMATIC NAME: [5-acetyloxy-2,4-bis(chloranyl)phenyl] ethanoate
MOLECULAR FORMULA: C10H8Cl2O4
MOLECULAR WEIGHT: 263.07412
SMILES: CC(=O)OC1=CC(=C(C=C1Cl)Cl)OC(=O)C
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Product OPENEYE NAME: dimethyl 3-chloropent-2-enedioate
CAS Name: 3-chloro-2-pentenedioic acid dimethyl ester
IUPAC NAME: dimethyl 3-chloropent-2-enedioate
SYSTEMATIC NAME: dimethyl 3-chloranylpent-2-enedioate
MOLECULAR FORMULA: C7H9ClO4
MOLECULAR WEIGHT: 192.59696
SMILES: COC(=O)CC(=CC(=O)OC)Cl
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Product OPENEYE NAME: 5-chloro-2-[(2-chloroacetyl)amino]benzoic acid
CAS Name: 5-chloro-2-[(2-chloro-1-oxoethyl)amino]benzoic acid
IUPAC NAME: 5-chloro-2-[(2-chloroacetyl)amino]benzoic acid
SYSTEMATIC NAME: 5-chloranyl-2-(2-chloranylethanoylamino)benzoic acid
MOLECULAR FORMULA: C9H7Cl2NO3
MOLECULAR WEIGHT: 248.06278
SMILES: C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CCl
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Product OPENEYE NAME: [2-(2-methylallyl)phenyl]arsonic acid
CAS Name: [2-(2-methylprop-2-enyl)phenyl]arsonic acid
IUPAC NAME: [2-(2-methylprop-2-enyl)phenyl]arsonic acid
SYSTEMATIC NAME: [2-(2-methylprop-2-enyl)phenyl]arsonic acid
MOLECULAR FORMULA: C10H13AsO3
MOLECULAR WEIGHT: 256.13002
SMILES: CC(=C)CC1=CC=CC=C1[As](=O)(O)O
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Product OPENEYE NAME: 4-benzyloxy-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylmethoxy-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxy-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OCC2=CC=CC=C2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H25N7O9S
MOLECULAR WEIGHT: 695.6581
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)C3C4=C(N=C5N3C6=CC=CC=C6NC5=O)N(N=C4C)C7=CC=C(C=C7)[N+](=O)[O-])OC
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Product OPENEYE NAME: N-[3-(4-acetylanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CAS Name: N-[3-(4-acetylanilino)-2-quinoxalinyl]-2-(trifluoromethyl)benzenesulfonamide
IUPAC NAME: N-[3-(4-acetylanilino)quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SYSTEMATIC NAME: N-[3-[(4-ethanoylphenyl)amino]quinoxalin-2-yl]-2-(trifluoromethyl)benzenesulfonamide
MOLECULAR FORMULA: C23H17F3N4O3S
MOLECULAR WEIGHT: 486.46629
SMILES: CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4C(F)(F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: CC(=O)OC1(CN(C2CC1(OC3=CC=CC=C23)OC(=O)C)C)C
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Product OPENEYE NAME: 5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylene]-3-[(4-chlorophenyl)methyl]thiazolidine-2,4-dione
CAS Name: 5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]thiazolidine-2,4-dione
IUPAC NAME: 5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C24H16BrClFNO3S
MOLECULAR WEIGHT: 532.809143
SMILES: C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)F
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Product OPENEYE NAME: 2,2,2-trifluoro-N-(4-sec-butylphenyl)acetamide
CAS Name: N-(4-butan-2-ylphenyl)-2,2,2-trifluoroacetamide
IUPAC NAME: N-(4-butan-2-ylphenyl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(4-butan-2-ylphenyl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C12H14F3NO
MOLECULAR WEIGHT: 245.24087
SMILES: CCC(C)C1=CC=C(C=C1)NC(=O)C(F)(F)F
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Product OPENEYE NAME: methyl 2-[(3-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[(3-bromobenzoyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(3-bromophenyl)carbonylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C21H24BrNO3S
MOLECULAR WEIGHT: 450.38916
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: ethyl 2-(octanoylamino)benzoate
CAS Name: 2-(1-oxooctylamino)benzoic acid ethyl ester
IUPAC NAME: ethyl 2-(octanoylamino)benzoate
SYSTEMATIC NAME: ethyl 2-(octanoylamino)benzoate
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CCCCCCCC(=O)NC1=CC=CC=C1C(=O)OCC
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Product OPENEYE NAME: N-(5-methyl-4-phenyl-thiazol-2-yl)decanamide
CAS Name: N-(5-methyl-4-phenyl-2-thiazolyl)decanamide
IUPAC NAME: N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)decanamide
SYSTEMATIC NAME: N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)decanamide
MOLECULAR FORMULA: C20H28N2OS
MOLECULAR WEIGHT: 344.51412
SMILES: CCCCCCCCCC(=O)NC1=NC(=C(S1)C)C2=CC=CC=C2
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Product OPENEYE NAME: diisopropyl 5-[3-(2-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate
CAS Name: 5-[[3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dipropan-2-yl ester
IUPAC NAME: dipropan-2-yl 5-[3-(2-chlorophenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dipropan-2-yl 5-[3-(2-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C22H24ClNO5S
MOLECULAR WEIGHT: 449.94766
SMILES: CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=CC=C2Cl)C(=O)OC(C)C
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Product OPENEYE NAME: 7-(methoxymethyl)bicyclo[2.2.1]hept-2-en-5-one
CAS Name: 7-(methoxymethyl)-5-bicyclo[2.2.1]hept-2-enone
IUPAC NAME: 7-(methoxymethyl)bicyclo[2.2.1]hept-2-en-5-one
SYSTEMATIC NAME: 7-(methoxymethyl)bicyclo[2.2.1]hept-2-en-5-one
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: COCC1C2CC(=O)C1C=C2
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Product OPENEYE NAME: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate
CAS Name: N-phenylcarbamothioic acid S-[[6-[[anilino(oxo)methyl]amino]-1,3-benzothiazol-2-yl]] ester
IUPAC NAME: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate
SYSTEMATIC NAME: S-[[6-(phenylcarbamoylamino)-1,3-benzothiazol-2-yl]] N-phenylcarbamothioate
MOLECULAR FORMULA: C21H16N4O2S2
MOLECULAR WEIGHT: 420.50734
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)SC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: N-[(4-bromophenyl)methyleneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CAS Name: N-[(4-bromophenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
IUPAC NAME: N-[(4-bromophenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SYSTEMATIC NAME: N-[(4-bromophenyl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
MOLECULAR FORMULA: C15H17BrN4O
MOLECULAR WEIGHT: 349.22568
SMILES: CC1=C(C(=NN1)C)CCC(=O)NN=CC2=CC=C(C=C2)Br
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Product OPENEYE NAME: 3-[[2,2,2-trichloro-1-(decanoylamino)ethyl]amino]benzoic acid
CAS Name: 3-[[2,2,2-trichloro-1-(1-oxodecylamino)ethyl]amino]benzoic acid
IUPAC NAME: 3-[[2,2,2-trichloro-1-(decanoylamino)ethyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[2,2,2-tris(chloranyl)-1-(decanoylamino)ethyl]amino]benzoic acid
MOLECULAR FORMULA: C19H27Cl3N2O3
MOLECULAR WEIGHT: 437.78828
SMILES: CCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC(=C1)C(=O)O
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Product OPENEYE NAME: diethyl 3-(3-methoxyphenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CAS Name: 3-(3-methoxyphenyl)-7-[(3-nitrophenyl)-oxomethyl]pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 3-(3-methoxyphenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SYSTEMATIC NAME: diethyl 3-(3-methoxyphenyl)-7-(3-nitrophenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
MOLECULAR FORMULA: C27H23N3O8
MOLECULAR WEIGHT: 517.48682
SMILES: CCOC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OCC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC
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