Product OPENEYE NAME: (4-nitrophenyl)methyl hexanoate
CAS Name: hexanoic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl hexanoate
SYSTEMATIC NAME: (4-nitrophenyl)methyl hexanoate
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CCCCCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-[2-[(1-formyl-2-sulfanyl-ethyl)amino]-2-oxo-ethyl]benzoic acid
CAS Name: 3-[2-[(1-mercapto-3-oxopropan-2-yl)amino]-2-oxoethyl]benzoic acid
IUPAC NAME: 3-[2-oxo-2-[(1-oxo-3-sulfanylpropan-2-yl)amino]ethyl]benzoic acid
SYSTEMATIC NAME: 3-[2-oxidanylidene-2-[(1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]benzoic acid
MOLECULAR FORMULA: C12H13NO4S
MOLECULAR WEIGHT: 267.30092
SMILES: C1=CC(=CC(=C1)CC(=O)NC(CS)C=O)C(=O)O
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Product OPENEYE NAME: 3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CAS Name: 3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
IUPAC NAME: 3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SYSTEMATIC NAME: 3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: C=C=CC1CN2C(S1)CC2=O
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Product OPENEYE NAME: 2-[2-[(4-nitrophenyl)methoxycarbonyl]phenyl]acetic acid
CAS Name: 2-[2-[(4-nitrophenyl)methoxy-oxomethyl]phenyl]acetic acid
IUPAC NAME: 2-[2-[(4-nitrophenyl)methoxycarbonyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-nitrophenyl)methoxycarbonyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C16H13NO6
MOLECULAR WEIGHT: 315.27752
SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]acetic acid
CAS Name: 2-[3-[(4-nitrophenyl)methoxy-oxomethyl]phenyl]acetic acid
IUPAC NAME: 2-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C16H13NO6
MOLECULAR WEIGHT: 315.27752
SMILES: C1=CC(=CC(=C1)CC(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methyl-7-oxo-3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 6-[[2-(3-carboxyphenyl)-1-oxoethyl]amino]-3-methyl-7-oxo-3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methyl-7-oxo-3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-[2-(3-carboxyphenyl)ethanoylamino]-3-methyl-7-oxidanylidene-3-propa-1,2-dienyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C19H18N2O6S
MOLECULAR WEIGHT: 402.42102
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)C=C=C
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Product OPENEYE NAME: 3-methoxy-3-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CAS Name: 3-methoxy-3-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
IUPAC NAME: 3-methoxy-3-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SYSTEMATIC NAME: 3-methoxy-3-methyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
MOLECULAR FORMULA: C7H11NO2S
MOLECULAR WEIGHT: 173.23274
SMILES: CC1(CN2C(S1)CC2=O)OC
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Product OPENEYE NAME: 2,4-diamino-5-benzylsulfanyl-2-(1-methoxyethyl)-3-oxo-pentanoic acid
CAS Name: 2,4-diamino-2-(1-methoxyethyl)-3-oxo-5-(phenylmethylthio)pentanoic acid
IUPAC NAME: 2,4-diamino-5-benzylsulfanyl-2-(1-methoxyethyl)-3-oxopentanoic acid
SYSTEMATIC NAME: 2,4-bis(azanyl)-2-(1-methoxyethyl)-3-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid
MOLECULAR FORMULA: C15H22N2O4S
MOLECULAR WEIGHT: 326.41118
SMILES: CC(C(C(=O)C(CSCC1=CC=CC=C1)N)(C(=O)O)N)OC
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Product OPENEYE NAME: 6-acetamido-3,3-dimethyl-6-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 6-acetamido-3,3-dimethyl-6-[3-[(4-nitrophenyl)methoxy-oxomethyl]phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 6-acetamido-3,3-dimethyl-6-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-acetamido-3,3-dimethyl-6-[3-[(4-nitrophenyl)methoxycarbonyl]phenyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C24H23N3O8S
MOLECULAR WEIGHT: 513.51972
SMILES: CC(=O)NC1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)C3=CC=CC(=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: chloro 3-methylbutanoate; N,N-diethylethanamine
CAS Name: N,N-diethylethanamine; 3-methylbutanoic acid chloro ester
IUPAC NAME: chloro 3-methylbutanoate; N,N-diethylethanamine
SYSTEMATIC NAME: chloranyl 3-methylbutanoate; N,N-diethylethanamine
MOLECULAR FORMULA: C11H24ClNO2
MOLECULAR WEIGHT: 237.76676
SMILES: CCN(CC)CC.CC(C)CC(=O)OCl
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Product OPENEYE NAME: 6-amino-7-oxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 6-amino-3-ethenyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 6-amino-3-ethenyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-azanyl-3-ethenyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H10N2O3S
MOLECULAR WEIGHT: 214.2416
SMILES: C=CC1C(N2C(S1)C(C2=O)N)C(=O)O
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Product OPENEYE NAME: benzhydryl 2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-(2-phenylacetyl)amino]-3-methyl-butanoate
CAS Name: 2-[[2-amino-3-[(4-methoxyphenyl)methylthio]-1-oxopropyl]-(1-oxo-2-phenylethyl)amino]-3-methylbutanoic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2-[[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-(2-phenylacetyl)amino]-3-methylbutanoate
SYSTEMATIC NAME: (diphenylmethyl) 2-[[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]-(2-phenylethanoyl)amino]-3-methyl-butanoate
MOLECULAR FORMULA: C37H40N2O5S
MOLECULAR WEIGHT: 624.7889
SMILES: CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N(C(=O)CC3=CC=CC=C3)C(=O)C(CSCC4=CC=C(C=C4)OC)N
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Product OPENEYE NAME: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 6-[[2-(3-carboxyphenyl)-1-oxoethyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methoxy-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 6-[2-(3-carboxyphenyl)ethanoylamino]-3-methoxy-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H18N2O7S
MOLECULAR WEIGHT: 394.39902
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)OC
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Product OPENEYE NAME: 3-propa-1,2-dienyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
CAS Name: 3-propa-1,2-dienyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
IUPAC NAME: 3-propa-1,2-dienyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SYSTEMATIC NAME: 3-propa-1,2-dienyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
MOLECULAR FORMULA: C9H9NOS
MOLECULAR WEIGHT: 179.23886
SMILES: C=C=CC1=CN2C(CC2=O)SC1
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Product OPENEYE NAME: benzhydryl 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoate
CAS Name: 2-[[3-mercapto-2-[(4-methoxyphenyl)methylamino]-1-oxopropyl]amino]-3-methylbutanoic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanylpropanoyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: (diphenylmethyl) 2-[[2-[(4-methoxyphenyl)methylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoate
MOLECULAR FORMULA: C29H34N2O4S
MOLECULAR WEIGHT: 506.65626
SMILES: CC(C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C(CS)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-(butoxycarbonylamino)-2-iodo-butanoic acid
CAS Name: 2-[[butoxy(oxo)methyl]amino]-2-iodobutanoic acid
IUPAC NAME: 2-(butoxycarbonylamino)-2-iodobutanoic acid
SYSTEMATIC NAME: 2-(butoxycarbonylamino)-2-iodanyl-butanoic acid
MOLECULAR FORMULA: C9H16INO4
MOLECULAR WEIGHT: 329.13211
SMILES: CCCCOC(=O)NC(CC)(C(=O)O)I
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Product OPENEYE NAME: 2-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]benzaldehyde
CAS Name: 2-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]benzaldehyde
IUPAC NAME: 2-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]benzaldehyde
SYSTEMATIC NAME: 2-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]benzaldehyde
MOLECULAR FORMULA: C14H17N5O2
MOLECULAR WEIGHT: 287.31708
SMILES: C1=CC=C(C(=C1)C=O)NCCCC2=C(NC(=NC2=O)N)N
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Product OPENEYE NAME: propyl 3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]-2-amino-benzoate
CAS Name: 3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]-2-aminobenzoic acid propyl ester
IUPAC NAME: propyl 3-[2-acetamido-6-(diacetylamino)-4-oxo-1H-pyrimidin-5-yl]-2-aminobenzoate
SYSTEMATIC NAME: propyl 3-[2-acetamido-6-(diethanoylamino)-4-oxidanylidene-1H-pyrimidin-5-yl]-2-azanyl-benzoate
MOLECULAR FORMULA: C20H23N5O6
MOLECULAR WEIGHT: 429.42652
SMILES: CCCOC(=O)C1=CC=CC(=C1N)C2=C(NC(=NC2=O)NC(=O)C)N(C(=O)C)C(=O)C
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Product OPENEYE NAME: N-[6-(diacetylamino)-5-[2-(2-formylanilino)ethyl]-4-oxo-1H-pyrimidin-2-yl]acetamide
CAS Name: N-[6-(diacetylamino)-5-[2-(2-formylanilino)ethyl]-4-oxo-1H-pyrimidin-2-yl]acetamide
IUPAC NAME: N-[6-(diacetylamino)-5-[2-(2-formylanilino)ethyl]-4-oxo-1H-pyrimidin-2-yl]acetamide
SYSTEMATIC NAME: N-[6-(diethanoylamino)-5-[2-[(2-methanoylphenyl)amino]ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]ethanamide
MOLECULAR FORMULA: C19H21N5O5
MOLECULAR WEIGHT: 399.40054
SMILES: CC(=O)NC1=NC(=O)C(=C(N1)N(C(=O)C)C(=O)C)CCNC2=CC=CC=C2C=O
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Product OPENEYE NAME: 4-[benzoyl-[2-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)ethyl]amino]-5-(methylaminooxy)-5-oxo-pentanoic acid
CAS Name: 4-[benzoyl-[2-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)ethyl]amino]-5-(methylaminooxy)-5-oxopentanoic acid
IUPAC NAME: 4-[benzoyl-[2-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)ethyl]amino]-5-(methylaminooxy)-5-oxopentanoic acid
SYSTEMATIC NAME: 4-[2-(2,6-diacetamido-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl-(phenylcarbonyl)amino]-5-(methylaminooxy)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C23H28N6O8
MOLECULAR WEIGHT: 516.50382
SMILES: CC(=O)NC1=C(C(=O)N=C(N1)NC(=O)C)CCN(C(CCC(=O)O)C(=O)ONC)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[2-acetamido-5-[3-(2-formylanilino)propyl]-4-oxo-1H-pyrimidin-6-yl]acetamide
CAS Name: N-[2-acetamido-5-[3-(2-formylanilino)propyl]-4-oxo-1H-pyrimidin-6-yl]acetamide
IUPAC NAME: N-[2-acetamido-5-[3-(2-formylanilino)propyl]-4-oxo-1H-pyrimidin-6-yl]acetamide
SYSTEMATIC NAME: N-[2-acetamido-5-[3-[(2-methanoylphenyl)amino]propyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanamide
MOLECULAR FORMULA: C18H21N5O4
MOLECULAR WEIGHT: 371.39044
SMILES: CC(=O)NC1=C(C(=O)N=C(N1)NC(=O)C)CCCNC2=CC=CC=C2C=O
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