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

Systemtic Name: dimethyl 5-[2-(5-ethoxycarbonyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C26H27N3O8S2 MolecularWeight: 573.63788

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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)OC)C)C(=O)OC)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)SCCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O8S2/c1-5-37-23(32)17-13-27-26(38-12-11-16-9-7-6-8-10-16)29(22(17)31)14-18(30)28-21-19(24(33)35-3)15(2)20(39-21)25(34)36-4/h6-10,13H,5,11-12,14H2,1-4H3,(H,28,30)