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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-6-keto-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=CN=C(NC1=O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-2-20-13(19)11-7-16-14(17-12(11)18)21-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,18)