Tuesday, June 25, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-benzenethiol
CAS Name: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy-(propylthio)phosphinothioyl]oxybenzenethiol
IUPAC NAME: 5-(7-bromo-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxybenzenethiol
SYSTEMATIC NAME: 5-(7-bromanyl-4H-quinoxalin-1-yl)-2-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-benzenethiol
MOLECULAR FORMULA: C19H22BrN2O2PS3
MOLECULAR WEIGHT: 517.462941
SMILES: CCCSP(=S)(OCC)OC1=C(C=C(C=C1)N2C=CNC3=C2C=C(C=C3)Br)S
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Product OPENEYE NAME: 3-(6-chloro-4H-quinoxalin-1-yl)benzene-1,2-diol
CAS Name: 3-(6-chloro-4H-quinoxalin-1-yl)benzene-1,2-diol
IUPAC NAME: 3-(6-chloro-4H-quinoxalin-1-yl)benzene-1,2-diol
SYSTEMATIC NAME: 3-(6-chloranyl-4H-quinoxalin-1-yl)benzene-1,2-diol
MOLECULAR FORMULA: C14H11ClN2O2
MOLECULAR WEIGHT: 274.70234
SMILES: C1=CC(=C(C(=C1)O)O)N2C=CNC3=C2C=CC(=C3)Cl
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Product OPENEYE NAME: (3-fluorophenoxy)-hydroxy-sulfanyl-thioxo-$l^{5}-phosphane
CAS Name: (3-fluorophenoxy)-hydroxy-mercapto-sulfanylidenephosphorane
IUPAC NAME: (3-fluorophenoxy)-hydroxy-sulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (3-fluoranylphenoxy)-oxidanyl-sulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C6H6FO2PS2
MOLECULAR WEIGHT: 224.212804
SMILES: C1=CC(=CC(=C1)F)OP(=S)(O)S
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Product OPENEYE NAME: 1-[ethylsulfanyl(propoxy)phosphoryl]oxy-4-fluoro-benzene
CAS Name: 1-[(ethylthio)-propoxyphosphoryl]oxy-4-fluorobenzene
IUPAC NAME: 1-[ethylsulfanyl(propoxy)phosphoryl]oxy-4-fluorobenzene
SYSTEMATIC NAME: 1-[ethylsulfanyl(propoxy)phosphoryl]oxy-4-fluoranyl-benzene
MOLECULAR FORMULA: C11H16FO3PS
MOLECULAR WEIGHT: 278.280104
SMILES: CCCOP(=O)(OC1=CC=C(C=C1)F)SCC
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Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(4-tert-butoxy-4-oxo-butoxy)imino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]imino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]iminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butoxy]imino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C35H39N5O8S2
MOLECULAR WEIGHT: 721.84286
SMILES: CC(C)(C)OC(=O)CCCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: tert-butyl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: tert-butyl 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C24H33N5O8S2
MOLECULAR WEIGHT: 583.67752
SMILES: CC(C)(C)OC(=O)CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-hydroxy-2-oxoethyloxyimino)ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H17N5O8S2
MOLECULAR WEIGHT: 471.46488
SMILES: COCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
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Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-1-methyl-2-oxo-ethoxy)imino-acetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C34H37N5O7S3
MOLECULAR WEIGHT: 723.88188
SMILES: CC(C(=O)OC(C)(C)C)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(2-tert-butoxy-1-methyl-2-oxo-ethoxy)imino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C35H37N5O8S3
MOLECULAR WEIGHT: 751.89198
SMILES: CC(C(=O)OC(C)(C)C)O/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(3-carboxypropoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(3-carboxypropoxyimino)-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(3-carboxypropoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-oxidanyl-4-oxidanylidene-butoxy)imino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H21N5O8S2
MOLECULAR WEIGHT: 499.51804
SMILES: COCC1=C(N2C(C(C2=O)NC(=O)/C(=N/OCCCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
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Product OPENEYE NAME: benzhydryl 7-[[(2E)-2-(4-tert-butoxy-4-oxo-butoxy)imino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]imino-1-oxoethyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]iminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: (diphenylmethyl) 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butoxy]imino-ethanoyl]amino]-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C36H39N5O9S2
MOLECULAR WEIGHT: 749.85296
SMILES: CC(C)(C)OC(=O)CCCO/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)COC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(1-carboxyethoxyimino)acetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-carboxyethoxyimino)-1-oxoethyl]amino]-3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-carboxyethoxyimino)acetyl]amino]-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C17H19N5O7S3
MOLECULAR WEIGHT: 501.55706
SMILES: CC(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC)C(=O)O
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