Wednesday, February 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-[6-bromo-2-[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-bromo-2-[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-bromo-2-[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-bromanyl-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C20H24BrN3O4S2
MOLECULAR WEIGHT: 514.45626
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCCC3
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Product OPENEYE NAME: ethyl 2-[[2-[2-[[3-(2-methoxy-2-oxo-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[2-[[2-[[3-(2-methoxy-2-oxoethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[2-[[3-(2-methoxy-2-oxoethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[2-[[3-(2-methoxy-2-oxidanylidene-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C26H28N4O8S3
MOLECULAR WEIGHT: 620.71752
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC(=O)OC
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Product OPENEYE NAME: ethyl 2-[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfonylacetyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfonylacetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C23H29N3O8S2
MOLECULAR WEIGHT: 539.62166
SMILES: CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3CCCCC3)S2)CC(=O)OC
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Product OPENEYE NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfonyl-acetamide
CAS Name: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]sulfonylacetamide
IUPAC NAME: N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide
SYSTEMATIC NAME: N-(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide
MOLECULAR FORMULA: C21H24ClN3O4S2
MOLECULAR WEIGHT: 482.01596
SMILES: CC1CC(CN(C1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC#C)C
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Product OPENEYE NAME: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonyl-acetamide
CAS Name: N-(5-methyl-3-isoxazolyl)-2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetamide
IUPAC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetamide
SYSTEMATIC NAME: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonyl-ethanamide
MOLECULAR FORMULA: C18H16N4O5S2
MOLECULAR WEIGHT: 432.47344
SMILES: CC1=CC(=NO1)NC(=O)CS(=O)(=O)CC(=O)N=C2N(C3=CC=CC=C3S2)CC#C
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Product OPENEYE NAME: N-[3-[2-(benzenesulfonyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CAS Name: N-[3-[2-(benzenesulfonyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
IUPAC NAME: N-[3-[2-(benzenesulfonyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[3-[3-(2-fluorophenyl)-2-(phenylsulfonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
MOLECULAR FORMULA: C22H20FN3O4S2
MOLECULAR WEIGHT: 473.540303
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(m-tolyl)acetate
CAS Name: 2-(3-methylphenyl)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
IUPAC NAME: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3-methylphenyl)acetate
SYSTEMATIC NAME: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3-methylphenyl)ethanoate
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CC1=CC(=CC=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2
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Product OPENEYE NAME: [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CAS Name: [2-[(4-bromophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
IUPAC NAME: [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
SYSTEMATIC NAME: [2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
MOLECULAR FORMULA: C17H14BrClN2OS
MOLECULAR WEIGHT: 409.72786
SMILES: C1CN(C(=N1)SCC2=CC=C(C=C2)Br)C(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: cyclopentyl-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CAS Name: cyclopentyl-[2-[(2,5-dimethylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]methanone
IUPAC NAME: cyclopentyl-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SYSTEMATIC NAME: cyclopentyl-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
MOLECULAR FORMULA: C18H24N2OS
MOLECULAR WEIGHT: 316.46096
SMILES: CC1=CC(=C(C=C1)C)CSC2=NCCN2C(=O)C3CCCC3
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Product OPENEYE NAME: 2-(4-chlorophenoxy)-1-[2-(3-pyridylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
CAS Name: 2-(4-chlorophenoxy)-1-[2-(3-pyridinylmethylthio)-4,5-dihydroimidazol-1-yl]ethanone
IUPAC NAME: 2-(4-chlorophenoxy)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]ethanone
MOLECULAR FORMULA: C17H16ClN3O2S
MOLECULAR WEIGHT: 361.84584
SMILES: C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)COC3=CC=C(C=C3)Cl
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