Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(quinazolin-4-ylsulfanylmethyl)-2-(3-thienyl)thiazole
CAS Name: 4-[(4-quinazolinylthio)methyl]-2-(3-thiophenyl)thiazole
IUPAC NAME: 4-(quinazolin-4-ylsulfanylmethyl)-2-thiophen-3-yl-1,3-thiazole
SYSTEMATIC NAME: 4-(quinazolin-4-ylsulfanylmethyl)-2-thiophen-3-yl-1,3-thiazole
MOLECULAR FORMULA: C16H11N3S3
MOLECULAR WEIGHT: 341.47364
SMILES: C1=CC=C2C(=C1)C(=NC=N2)SCC3=CSC(=N3)C4=CSC=C4
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Product OPENEYE NAME: ethyl 5-[2-(2H-chromene-3-carbonyloxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 5-[2-[2H-1-benzopyran-3-yl(oxo)methoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[2-(2H-chromene-3-carbonyloxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[2-(2H-chromen-3-ylcarbonyloxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: N-(isopropylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H27N4O4S+
MOLECULAR WEIGHT: 383.48568
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: N-(isopropylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide
CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide
IUPAC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide
MOLECULAR FORMULA: C17H26N4O4S
MOLECULAR WEIGHT: 382.47774
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC(C)C
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Product OPENEYE NAME: methyl 4,5-dimethyl-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate
CAS Name: 4,5-dimethyl-2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4,5-dimethyl-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4,5-dimethyl-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C13H20N2O2S3
MOLECULAR WEIGHT: 332.5051
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCSC)C
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Product OPENEYE NAME: 1,3-benzothiazol-2-ylmethyl 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC NAME: 1,3-benzothiazol-2-ylmethyl 2H-chromene-3-carboxylate
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethyl 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13NO3S
MOLECULAR WEIGHT: 323.36572
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: methyl 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H14ClN3O4S2
MOLECULAR WEIGHT: 399.87236
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C
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Product OPENEYE NAME: 2-phenyl-5-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole
CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C20H23N4O3S+
MOLECULAR WEIGHT: 399.48662
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=C(O3)C4=CC=CC=C4
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(4-propanoylphenoxy)acetate
CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-propanoylphenoxy)acetate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-propanoylphenoxy)ethanoate
MOLECULAR FORMULA: C19H17NO5S
MOLECULAR WEIGHT: 371.40698
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=NOC(=C2)C3=CC=CS3
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Product OPENEYE NAME: methyl 2-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(6-methoxy-6-oxohexyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C16H24N2O4S2
MOLECULAR WEIGHT: 372.50276
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=S)NCCCCCC(=O)OC)C
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Product OPENEYE NAME: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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