(phenylmethyl) 2-(2-chlorophenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-chlorophenyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-chlorophenyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O3S/c1-12-16-19(25)23-18(14-9-5-6-10-15(14)22)24-20(16)28-17(12)21(26)27-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24,25)