Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(2-ethyl-6-methyl-phenyl)-2-methyl-N-(5-oxotetrahydrofuran-3-yl)prop-2-enamide
CAS Name: N-(2-ethyl-6-methylphenyl)-2-methyl-N-(5-oxo-3-oxolanyl)-2-propenamide
IUPAC NAME: N-(2-ethyl-6-methylphenyl)-2-methyl-N-(5-oxooxolan-3-yl)prop-2-enamide
SYSTEMATIC NAME: N-(2-ethyl-6-methyl-phenyl)-2-methyl-N-(5-oxidanylideneoxolan-3-yl)prop-2-enamide
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CCC1=CC=CC(=C1N(C2CC(=O)OC2)C(=O)C(=C)C)C
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Product OPENEYE NAME: O-methyl 2-(2,6-dimethyl-N-(5-oxo-2-thioxo-tetrahydrofuran-3-yl)anilino)-2-oxo-ethanethioate
CAS Name: 2-(2,6-dimethyl-N-(5-oxo-2-sulfanylidene-3-oxolanyl)anilino)-2-oxoethanethioic acid O-methyl ester
IUPAC NAME: O-methyl 2-(2,6-dimethyl-N-(5-oxo-2-sulfanylideneoxolan-3-yl)anilino)-2-oxoethanethioate
SYSTEMATIC NAME: O-methyl 2-[(2,6-dimethylphenyl)-(5-oxidanylidene-2-sulfanylidene-oxolan-3-yl)amino]-2-oxidanylidene-ethanethioate
MOLECULAR FORMULA: C15H15NO4S2
MOLECULAR WEIGHT: 337.4139
SMILES: CC1=C(C(=CC=C1)C)N(C2CC(=O)OC2=S)C(=O)C(=S)OC
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Product OPENEYE NAME: 4-(2,6-dimethylanilino)-5-thioxo-tetrahydrofuran-2-one
CAS Name: 4-(2,6-dimethylanilino)-5-sulfanylidene-2-oxolanone
IUPAC NAME: 4-(2,6-dimethylanilino)-5-sulfanylideneoxolan-2-one
SYSTEMATIC NAME: 4-[(2,6-dimethylphenyl)amino]-5-sulfanylidene-oxolan-2-one
MOLECULAR FORMULA: C12H13NO2S
MOLECULAR WEIGHT: 235.30212
SMILES: CC1=C(C(=CC=C1)C)NC2CC(=O)OC2=S
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-methoxy-N-(5-oxo-2-thioxo-tetrahydrofuran-3-yl)acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-methoxy-N-(5-oxo-2-sulfanylidene-3-oxolanyl)acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-methoxy-N-(5-oxo-2-sulfanylideneoxolan-3-yl)acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-methoxy-N-(5-oxidanylidene-2-sulfanylidene-oxolan-3-yl)ethanamide
MOLECULAR FORMULA: C15H17NO4S
MOLECULAR WEIGHT: 307.36478
SMILES: CC1=C(C(=CC=C1)C)N(C2CC(=O)OC2=S)C(=O)COC
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Product OPENEYE NAME: O-methyl 2-(2,6-dimethyl-N-(5-oxotetrahydrofuran-3-yl)anilino)-2-oxo-ethanethioate
CAS Name: 2-(2,6-dimethyl-N-(5-oxo-3-oxolanyl)anilino)-2-oxoethanethioic acid O-methyl ester
IUPAC NAME: O-methyl 2-(2,6-dimethyl-N-(5-oxooxolan-3-yl)anilino)-2-oxoethanethioate
SYSTEMATIC NAME: O-methyl 2-[(2,6-dimethylphenyl)-(5-oxidanylideneoxolan-3-yl)amino]-2-oxidanylidene-ethanethioate
MOLECULAR FORMULA: C15H17NO4S
MOLECULAR WEIGHT: 307.36478
SMILES: CC1=C(C(=CC=C1)C)N(C2CC(=O)OC2)C(=O)C(=S)OC
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-N-(5-oxotetrahydrofuran-3-yl)prop-2-enamide
CAS Name: N-(2,6-dimethylphenyl)-N-(5-oxo-3-oxolanyl)-2-propenamide
IUPAC NAME: N-(2,6-dimethylphenyl)-N-(5-oxooxolan-3-yl)prop-2-enamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-N-(5-oxidanylideneoxolan-3-yl)prop-2-enamide
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CC1=C(C(=CC=C1)C)N(C2CC(=O)OC2)C(=O)C=C
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Product OPENEYE NAME: tetrahydrofuran-2-yl 2-methylpropanoate
CAS Name: 2-methylpropanoic acid 2-oxolanyl ester
IUPAC NAME: oxolan-2-yl 2-methylpropanoate
SYSTEMATIC NAME: oxolan-2-yl 2-methylpropanoate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CC(C)C(=O)OC1CCCO1
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Product OPENEYE NAME: 3-[2-furylmethyl(methyl)amino]propanoate
CAS Name: 3-[2-furanylmethyl(methyl)amino]propanoate
IUPAC NAME: 3-[furan-2-ylmethyl(methyl)amino]propanoate
SYSTEMATIC NAME: 3-[furan-2-ylmethyl(methyl)amino]propanoate
MOLECULAR FORMULA: C9H12NO3-
MOLECULAR WEIGHT: 182.19648
SMILES: CN(CCC(=O)[O-])CC1=CC=CO1
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Product OPENEYE NAME: 3-[2-furylmethyl(methyl)amino]propanoic acid
CAS Name: 3-[2-furanylmethyl(methyl)amino]propanoic acid
IUPAC NAME: 3-[furan-2-ylmethyl(methyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[furan-2-ylmethyl(methyl)amino]propanoic acid
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CN(CCC(=O)O)CC1=CC=CO1
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Product OPENEYE NAME: tetrahydrofuran-2-yl carbamate
CAS Name: carbamic acid 2-oxolanyl ester
IUPAC NAME: oxolan-2-yl carbamate
SYSTEMATIC NAME: oxolan-2-yl carbamate
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: C1CC(OC1)OC(=O)N
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Product OPENEYE NAME: ethyl (2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-butanoate
CAS Name: (2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
SYSTEMATIC NAME: ethyl (2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: CCOC(=O)/C(=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)C
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Product OPENEYE NAME: sodium 2-(2-amino-3-phenyl-phenyl)acetic acid
CAS Name: sodium 2-(2-amino-3-phenylphenyl)acetic acid
IUPAC NAME: sodium 2-(2-amino-3-phenylphenyl)acetic acid
SYSTEMATIC NAME: sodium 2-(2-azanyl-3-phenyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C14H13NNaO2+
MOLECULAR WEIGHT: 250.24829
SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)CC(=O)O)N.[Na+]
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