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

Systemtic Name: phenethyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(3-chlorobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2O3S/c1-14-19-21(27)25-18(13-16-8-5-9-17(24)12-16)26-22(19)30-20(14)23(28)29-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,25,26,27)