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

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O5S2/c1-5-28-16(25)12-30-22-23-19-17(14(4)18(31-19)21(27)29-6-2)20(26)24(22)11-15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3