Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-methyl-3-(4-phenoxyanilino)propanoic acid
CAS Name: 2-methyl-3-(4-phenoxyanilino)propanoic acid
IUPAC NAME: 2-methyl-3-(4-phenoxyanilino)propanoic acid
SYSTEMATIC NAME: 2-methyl-3-[(4-phenoxyphenyl)amino]propanoic acid
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CC(CNC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 1-(3-methoxyphenyl)sulfonyl-2,6-dimethyl-piperidine
CAS Name: 1-(3-methoxyphenyl)sulfonyl-2,6-dimethylpiperidine
IUPAC NAME: 1-(3-methoxyphenyl)sulfonyl-2,6-dimethylpiperidine
SYSTEMATIC NAME: 1-(3-methoxyphenyl)sulfonyl-2,6-dimethyl-piperidine
MOLECULAR FORMULA: C14H21NO3S
MOLECULAR WEIGHT: 283.38644
SMILES: CC1CCCC(N1S(=O)(=O)C2=CC=CC(=C2)OC)C
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Product OPENEYE NAME: 6-(4-isopropylphenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: 3,9,9-trimethyl-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: 3,9,9-trimethyl-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 3,9,9-trimethyl-6-(4-propan-2-ylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C25H30N2O
MOLECULAR WEIGHT: 374.5185
SMILES: CC1=CC2=C(C=C1)NC3=C(C(N2)C4=CC=C(C=C4)C(C)C)C(=O)CC(C3)(C)C
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Product OPENEYE NAME: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-methoxy-2-oxoethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C18H16N2O5S2
MOLECULAR WEIGHT: 404.46004
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CC(=O)OC
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Product OPENEYE NAME: methyl 2-[6-bromo-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[(2-iodophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-bromo-2-(2-iodobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-bromanyl-2-(2-iodanylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C17H12BrIN2O3S
MOLECULAR WEIGHT: 531.16225
SMILES: COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=CC=C3I
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Product OPENEYE NAME: methyl 2-[6-acetamido-2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-acetamido-2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[6-acetamido-2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: methyl 2-[6-acetamido-2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C26H30N4O6S2
MOLECULAR WEIGHT: 558.6696
SMILES: CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC(=O)OC)C
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Product OPENEYE NAME: methyl 2-(3-bromobenzoyl)imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[(3-bromophenyl)-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 2-(3-bromobenzoyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 2-(3-bromophenyl)carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C20H17BrN2O5S
MOLECULAR WEIGHT: 477.32838
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: [2-oxo-2-(2-phenylethylamino)ethyl] 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CAS Name: 3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-phenylethylamino)ethyl] 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-phenylethylamino)ethyl] 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H28N2O5S
MOLECULAR WEIGHT: 444.54382
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCC2=CC=CC=C2
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Product OPENEYE NAME: bis[2-(2-furylmethylamino)-2-oxo-ethyl] benzene-1,4-dicarboxylate
CAS Name: benzene-1,4-dicarboxylic acid bis[2-(2-furanylmethylamino)-2-oxoethyl] ester
IUPAC NAME: bis[2-(furan-2-ylmethylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C22H20N2O8
MOLECULAR WEIGHT: 440.4028
SMILES: C1=COC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3
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