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

Systemtic Name: diethyl 5-[2-(5-ethoxycarbonyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(5-ethoxycarbonyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[5-ethoxycarbonyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(5-ethoxycarbonyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[5-carbethoxy-6-keto-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H31N3O8S2 MolecularWeight: 601.69104

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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)SCCC3=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)SCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O8S2/c1-5-37-25(34)19-15-29-28(40-14-13-18-11-9-8-10-12-18)31(24(19)33)16-20(32)30-23-21(26(35)38-6-2)17(4)22(41-23)27(36)39-7-3/h8-12,15H,5-7,13-14,16H2,1-4H3,(H,30,32)