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

Systemtic Name: (4-cyanophenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-cyanophenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-cyanophenyl) ester Formula: C22H14ClN3O3S MolecularWeight: 435.88286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Cl)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Cl)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H14ClN3O3S/c1-13-18-20(25-12-26(21(18)27)11-15-4-2-3-5-17(15)23)30-19(13)22(28)29-16-8-6-14(10-24)7-9-16/h2-9,12H,11H2,1H3