Tuesday, August 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6-(hydroxymethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 6-(hydroxymethyl)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 6-(hydroxymethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 6-(hydroxymethyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C10H11N5O4S2
MOLECULAR WEIGHT: 329.35544
SMILES: CN1C(=NN=N1)SCC2=C(N3C(S2)C(C3=O)CO)C(=O)O
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Product OPENEYE NAME: 3-(1-hydroxypropylsulfanyl)azetidin-2-one
CAS Name: 3-(1-hydroxypropylthio)-2-azetidinone
IUPAC NAME: 3-(1-hydroxypropylsulfanyl)azetidin-2-one
SYSTEMATIC NAME: 3-(1-oxidanylpropylsulfanyl)azetidin-2-one
MOLECULAR FORMULA: C6H11NO2S
MOLECULAR WEIGHT: 161.22204
SMILES: CCC(O)SC1CNC1=O
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Product OPENEYE NAME: 3-(2-acetamidoethylsulfanyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-(2-acetamidoethylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-(2-acetamidoethylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H18N2O5S2
MOLECULAR WEIGHT: 346.42242
SMILES: CC(=O)NCCSC1=C(N2C(S1)C(C2=O)C(C)(C)O)C(=O)O
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Product OPENEYE NAME: 3-(2-aminoethylsulfanyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-(2-aminoethylthio)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-(2-aminoethylsulfanyl)-6-(2-hydroxypropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(2-azanylethylsulfanyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C11H16N2O4S2
MOLECULAR WEIGHT: 304.38574
SMILES: CC(C)(C1C2N(C1=O)C(=C(S2)SCCN)C(=O)O)O
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Product OPENEYE NAME: 1-trimethylsilyloxypropane-2-thiol
CAS Name: 1-trimethylsilyloxy-2-propanethiol
IUPAC NAME: 1-trimethylsilyloxypropane-2-thiol
SYSTEMATIC NAME: 1-trimethylsilyloxypropane-2-thiol
MOLECULAR FORMULA: C6H16OSSi
MOLECULAR WEIGHT: 164.34114
SMILES: CC(CO[Si](C)(C)C)S
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Product OPENEYE NAME: 7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
CAS Name: 7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
IUPAC NAME: 7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
SYSTEMATIC NAME: 7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C6H6NO3S+
MOLECULAR WEIGHT: 172.18174
SMILES: C1C2[N+](C1=O)(C=CS2)C(=O)O
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Product OPENEYE NAME: 2-sulfanylpropyl acetate
CAS Name: acetic acid 2-mercaptopropyl ester
IUPAC NAME: 2-sulfanylpropyl acetate
SYSTEMATIC NAME: 2-sulfanylpropyl ethanoate
MOLECULAR FORMULA: C5H10O2S
MOLECULAR WEIGHT: 134.1967
SMILES: CC(COC(=O)C)S
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Product OPENEYE NAME: 3-(2-hydroxy-1-methyl-ethyl)sulfanylazetidin-2-one
CAS Name: 3-(1-hydroxypropan-2-ylthio)-2-azetidinone
IUPAC NAME: 3-(1-hydroxypropan-2-ylsulfanyl)azetidin-2-one
SYSTEMATIC NAME: 3-(1-oxidanylpropan-2-ylsulfanyl)azetidin-2-one
MOLECULAR FORMULA: C6H11NO2S
MOLECULAR WEIGHT: 161.22204
SMILES: CC(CO)SC1CNC1=O
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Product OPENEYE NAME: 8-chloro-6-phenyl-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
CAS Name: 8-chloro-6-phenyl-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
IUPAC NAME: 8-chloro-6-phenyl-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
SYSTEMATIC NAME: 8-chloranyl-6-phenyl-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
MOLECULAR FORMULA: C18H13ClN2O
MOLECULAR WEIGHT: 308.76162
SMILES: C1C2=C(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4)C(=O)N1
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Product OPENEYE NAME: 6-chloro-4-(2-chlorophenyl)-2-ethyl-4-hydroxy-3H-indeno[2,1-b]pyrrole-1-carbonitrile; ethoxyethane
CAS Name: 6-chloro-4-(2-chlorophenyl)-2-ethyl-4-hydroxy-3H-indeno[2,1-b]pyrrole-1-carbonitrile; ethoxyethane
IUPAC NAME: 6-chloro-4-(2-chlorophenyl)-2-ethyl-4-hydroxy-3H-indeno[2,1-b]pyrrole-1-carbonitrile; ethoxyethane
SYSTEMATIC NAME: 6-chloranyl-4-(2-chlorophenyl)-2-ethyl-4-oxidanyl-3H-indeno[2,1-b]pyrrole-1-carbonitrile; ethoxyethane
MOLECULAR FORMULA: C24H24Cl2N2O2
MOLECULAR WEIGHT: 443.36556
SMILES: CCC1=C(C2=C(N1)C(C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C#N.CCOCC
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-3-methoxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; methanesulfonic acid
CAS Name: 8-chloro-6-(2-chlorophenyl)-3-methoxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; methanesulfonic acid
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-3-methoxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; methanesulfonic acid
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-3-methoxy-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one; methanesulfonic acid
MOLECULAR FORMULA: C20H18Cl2N2O5S
MOLECULAR WEIGHT: 469.33832
SMILES: COC1C2=C(C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl)C(=O)N1.CS(=O)(=O)O
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Product OPENEYE NAME: lead tetraformate
CAS Name: lead tetraformate
IUPAC NAME: lead tetraformate
SYSTEMATIC NAME: lead tetramethanoate
MOLECULAR FORMULA: C4H4O8Pb-4
MOLECULAR WEIGHT: 387.26976
SMILES: C(=O)[O-].C(=O)[O-].C(=O)[O-].C(=O)[O-].[Pb]
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Product OPENEYE NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid; ethoxyethane
CAS Name: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid; ethoxyethane
IUPAC NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid; ethoxyethane
SYSTEMATIC NAME: 2-[8-chloranyl-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]ethanoic acid; ethoxyethane
MOLECULAR FORMULA: C25H26Cl2N2O3
MOLECULAR WEIGHT: 473.39154
SMILES: CCOCC.CC1=C2C(=CN1CC(=O)O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
CAS Name: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
IUPAC NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[8-chloranyl-6-(2-chlorophenyl)-1-methyl-4H-pyrrolo[3,4-d][2]benzazepin-2-yl]ethanoic acid
MOLECULAR FORMULA: C21H16Cl2N2O2
MOLECULAR WEIGHT: 399.26994
SMILES: CC1=C2C(=CN1CC(=O)O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-3-oxo-1,4-dihydropyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
CAS Name: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-3-oxo-1,4-dihydropyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
IUPAC NAME: 2-[8-chloro-6-(2-chlorophenyl)-1-methyl-3-oxo-1,4-dihydropyrrolo[3,4-d][2]benzazepin-2-yl]acetic acid
SYSTEMATIC NAME: 2-[8-chloranyl-6-(2-chlorophenyl)-1-methyl-3-oxidanylidene-1,4-dihydropyrrolo[3,4-d][2]benzazepin-2-yl]ethanoic acid
MOLECULAR FORMULA: C21H16Cl2N2O3
MOLECULAR WEIGHT: 415.26934
SMILES: CC1C2=C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl)C(=O)N1CC(=O)O
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Product OPENEYE NAME: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile
CAS Name: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile
IUPAC NAME: 4-[4-chloro-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile
SYSTEMATIC NAME: 4-[4-chloranyl-2-(2-chlorophenyl)phenyl]-5-ethyl-1H-pyrrole-3-carbonitrile
MOLECULAR FORMULA: C19H14Cl2N2
MOLECULAR WEIGHT: 341.23386
SMILES: CCC1=C(C(=CN1)C#N)C2=C(C=C(C=C2)Cl)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 4-chloro-6-(2-chlorophenyl)-1,2-dimethyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one
CAS Name: 4-chloro-6-(2-chlorophenyl)-1,2-dimethyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one
IUPAC NAME: 4-chloro-6-(2-chlorophenyl)-1,2-dimethyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one
SYSTEMATIC NAME: 4-chloranyl-6-(2-chlorophenyl)-1,2-dimethyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one
MOLECULAR FORMULA: C20H16Cl2N2O
MOLECULAR WEIGHT: 371.25984
SMILES: CC1C2=C(C(N=C(C3=CC=CC=C32)C4=CC=CC=C4Cl)Cl)C(=O)N1C
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-2-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
CAS Name: 8-chloro-6-(2-chlorophenyl)-2-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-2-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-2-methyl-1,4-dihydropyrrolo[3,4-d][2]benzazepin-3-one; ethoxyethane
MOLECULAR FORMULA: C23H24Cl2N2O2
MOLECULAR WEIGHT: 431.35486
SMILES: CCOCC.CN1CC2=C(C1=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; dichloromethane
CAS Name: 8-chloro-6-(2-chlorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; dichloromethane
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one; dichloromethane
SYSTEMATIC NAME: bis(chloranyl)methane; 8-chloranyl-6-(2-chlorophenyl)-2,4-dihydro-1H-pyrrolo[3,4-d][2]benzazepin-3-one
MOLECULAR FORMULA: C19H14Cl4N2O
MOLECULAR WEIGHT: 428.13926
SMILES: C1C2=C(CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl)C(=O)N1.C(Cl)Cl
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Product OPENEYE NAME: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
CAS Name: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
IUPAC NAME: 8-chloro-6-(2-chlorophenyl)-3-hydroxy-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-3-oxidanyl-4,5-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-1-one
MOLECULAR FORMULA: C18H12Cl2N2O2
MOLECULAR WEIGHT: 359.20608
SMILES: C1C2=C(NC(=O)C2=C3C=CC(=CC3=C(N1)C4=CC=CC=C4Cl)Cl)O
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