ethyl 2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C

InChI

InChI=1S/C28H27N3O4S2/c1-4-35-27(34)25-22(21-12-10-18(2)11-13-21)17-36-26(25)30-23(32)15-31-24(33)14-19(3)29-28(31)37-16-20-8-6-5-7-9-20/h5-14,17H,4,15-16H2,1-3H3,(H,30,32)