ethyl 6-[(4-acetamidophenyl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-acetamidophenyl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-acetamidophenyl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-acetamidophenyl)thio]methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-acetamidophenyl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-acetamidophenyl)thio]methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22ClN3O4S/c1-3-30-21(28)19-18(12-31-17-10-8-16(9-11-17)24-13(2)27)25-22(29)26-20(19)14-4-6-15(23)7-5-14/h4-11,20H,3,12H2,1-2H3,(H,24,27)(H2,25,26,29)