ethyl 2-(4-chlorophenyl)-4-methylsulfanyl-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-4-methylsulfanyl-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-chlorophenyl)-4-(methylthio)-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-chlorophenyl)-6-keto-4-(methylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(NC1=O)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(NC1=O)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C14H13ClN2O3S/c1-3-20-14(19)10-12(18)16-11(17-13(10)21-2)8-4-6-9(15)7-5-8/h4-7H,3H2,1-2H3,(H,16,17,18)