5-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-[2-oxo-2-(p-tolyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(p-tolyl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N2O4S- MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

InChI

InChI=1S/C17H14N2O4S/c1-9-3-5-11(6-4-9)12(20)7-19-8-18-15-13(16(19)21)10(2)14(24-15)17(22)23/h3-6,8H,7H2,1-2H3,(H,22,23)/p-1