diethyl 3-methyl-5-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H27N3O6S2 MolecularWeight: 529.62838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27N3O6S2/c1-5-33-23(31)20-16(4)21(24(32)34-6-2)36-22(20)27-18(29)13-28-19(30)12-15(3)26-25(28)35-14-17-10-8-7-9-11-17/h7-12H,5-6,13-14H2,1-4H3,(H,27,29)