Sunday, November 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N'-acetyl-3'-methylsulfanyl-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbohydrazide
CAS Name: N'-acetyl-3'-(methylthio)-1'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]carbohydrazide
IUPAC NAME: N'-acetyl-3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbohydrazide
SYSTEMATIC NAME: N'-ethanoyl-3'-methylsulfanyl-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbohydrazide
MOLECULAR FORMULA: C14H18N2O2S4
MOLECULAR WEIGHT: 374.56492
SMILES: CC(=O)NNC(=O)C1=C2CCCC3(C2=C(S1)SC)SCCS3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbonyl)amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[[3'-(methylthio)-1'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]yl]-oxomethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbonyl)amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-yl)carbonylamino]urea
MOLECULAR FORMULA: C19H20ClN3O2S4
MOLECULAR WEIGHT: 486.094
SMILES: CSC1=C2C(=C(S1)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl)CCCC24SCCS4
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Product OPENEYE NAME: 2,2-dimethylchromane-6-carbaldehyde oxime
CAS Name: 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxaldehyde oxime
IUPAC NAME: N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]hydroxylamine
SYSTEMATIC NAME: N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]hydroxylamine
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NO)C
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Product OPENEYE NAME: 1-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[[3'-(methylthio)-1'-spiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]yl]-oxomethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-carbonyl)amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[(3'-methylsulfanylspiro[1,3-dithiolane-2,4'-6,7-dihydro-5H-2-benzothiophene]-1'-yl)carbonylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C20H20F3N3O3S4
MOLECULAR WEIGHT: 535.64631
SMILES: CSC1=C2C(=C(S1)C(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F)CCCC24SCCS4
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Product OPENEYE NAME: 2-(4-chlorophenyl)sulfonyl-3-(2,2-dimethylchroman-6-yl)prop-2-enenitrile
CAS Name: 2-(4-chlorophenyl)sulfonyl-3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-propenenitrile
IUPAC NAME: 2-(4-chlorophenyl)sulfonyl-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfonyl-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)prop-2-enenitrile
MOLECULAR FORMULA: C20H18ClNO3S
MOLECULAR WEIGHT: 387.87982
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: 3-(2,2-dimethylchroman-6-yl)-2-methylsulfonyl-prop-2-enenitrile
CAS Name: 3-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-methylsulfonyl-2-propenenitrile
IUPAC NAME: 3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylsulfonylprop-2-enenitrile
SYSTEMATIC NAME: 3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methylsulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H17NO3S
MOLECULAR WEIGHT: 291.36538
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=C(C#N)S(=O)(=O)C)C
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Product OPENEYE NAME: methyl 6,6-dimethyl-4-oxo-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 3-[2-[anilino(oxo)methoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester
IUPAC NAME: methyl 6,6-dimethyl-4-oxo-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: methyl 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylcarbamoyloxy)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C21H23NO5S2
MOLECULAR WEIGHT: 433.54102
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=CC=C3)C(=O)OC)C
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Product OPENEYE NAME: [(2,2-dimethylchroman-6-yl)methyleneamino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methylideneamino] ester
IUPAC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C19H19ClN2O3
MOLECULAR WEIGHT: 358.81876
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)NC3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: [(2,2-dimethylchroman-6-yl)methyleneamino] N-(3-chlorophenyl)carbamate
CAS Name: N-(3-chlorophenyl)carbamic acid [(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methylideneamino] ester
IUPAC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C19H19ClN2O3
MOLECULAR WEIGHT: 358.81876
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)NC3=CC(=CC=C3)Cl)C
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Product OPENEYE NAME: [(2,2-dimethylchroman-6-yl)methyleneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methylideneamino] ester
IUPAC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C20H19F3N2O4
MOLECULAR WEIGHT: 408.37107
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C
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Product OPENEYE NAME: ethyl 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C15H20O4S2
MOLECULAR WEIGHT: 328.4469
SMILES: CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCO)(C)C
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Product OPENEYE NAME: [(2,2-dimethylchroman-6-yl)methyleneamino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methylideneamino] ester
IUPAC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] 4-chlorobenzoate
SYSTEMATIC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] 4-chloranylbenzoate
MOLECULAR FORMULA: C19H18ClNO3
MOLECULAR WEIGHT: 343.80412
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)C3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: [(2,2-dimethylchroman-6-yl)methyleneamino] 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid [(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methylideneamino] ester
IUPAC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] 3-chlorobenzoate
SYSTEMATIC NAME: [(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylideneamino] 3-chloranylbenzoate
MOLECULAR FORMULA: C19H18ClNO3
MOLECULAR WEIGHT: 343.80412
SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=NOC(=O)C3=CC(=CC=C3)Cl)C
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Product OPENEYE NAME: bis(4-chlorophenyl) 5-chlorothiophene-2,4-disulfonate
CAS Name: 5-chlorothiophene-2,4-disulfonic acid bis(4-chlorophenyl) ester
IUPAC NAME: bis(4-chlorophenyl) 5-chlorothiophene-2,4-disulfonate
SYSTEMATIC NAME: bis(4-chlorophenyl) 5-chloranylthiophene-2,4-disulfonate
MOLECULAR FORMULA: C16H9Cl3O6S3
MOLECULAR WEIGHT: 499.79306
SMILES: C1=CC(=CC=C1OS(=O)(=O)C2=CC(=C(S2)Cl)S(=O)(=O)OC3=CC=C(C=C3)Cl)Cl
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Product OPENEYE NAME: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 3-[2-[(4-chloroanilino)-oxomethoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: methyl 3-[2-[(4-chlorophenyl)carbamoyloxy]ethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C21H22ClNO5S2
MOLECULAR WEIGHT: 467.98608
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)NC3=CC=C(C=C3)Cl)C(=O)OC)C
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Product OPENEYE NAME: methyl 3-[2-(2-chlorobenzoyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
CAS Name: 3-[2-[(2-chlorophenyl)-oxomethoxy]ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid methyl ester
IUPAC NAME: methyl 3-[2-(2-chlorobenzoyl)oxyethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
SYSTEMATIC NAME: methyl 3-[2-(2-chlorophenyl)carbonyloxyethylsulfanyl]-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate
MOLECULAR FORMULA: C21H21ClO5S2
MOLECULAR WEIGHT: 452.97144
SMILES: CC1(CC2=C(SC(=C2C(=O)C1)SCCOC(=O)C3=CC=CC=C3Cl)C(=O)OC)C
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Product OPENEYE NAME: 5-chloro-N2,N2,N4,N4-tetramethyl-thiophene-2,4-disulfonamide
CAS Name: 5-chloro-N2,N2,N4,N4-tetramethylthiophene-2,4-disulfonamide
IUPAC NAME: 5-chloro-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-disulfonamide
SYSTEMATIC NAME: 5-chloranyl-N2,N2,N4,N4-tetramethyl-thiophene-2,4-disulfonamide
MOLECULAR FORMULA: C8H13ClN2O4S3
MOLECULAR WEIGHT: 332.84782
SMILES: CN(C)S(=O)(=O)C1=CC(=C(S1)Cl)S(=O)(=O)N(C)C
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