methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

COC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C14H10ClN3O3S/c1-21-11(19)7-22-14-17-12(10(6-16)13(20)18-14)8-2-4-9(15)5-3-8/h2-5H,7H2,1H3,(H,17,18,20)