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

Systemtic Name: diethyl 5-[2-[5-ethoxycarbonyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxo-pyrimidin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[5-ethoxycarbonyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-benzylsulfanyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[2-(benzylthio)-5-carbethoxy-6-keto-pyrimidin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H29N3O8S2 MolecularWeight: 587.66446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)SCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O8S2/c1-5-36-24(33)18-13-28-27(39-15-17-11-9-8-10-12-17)30(23(18)32)14-19(31)29-22-20(25(34)37-6-2)16(4)21(40-22)26(35)38-7-3/h8-13H,5-7,14-15H2,1-4H3,(H,29,31)