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

Systemtic Name: (phenylmethyl) 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H14ClN3O3S/c21-15-8-6-14(7-9-15)18-16(10-22)19(26)24-20(23-18)28-12-17(25)27-11-13-4-2-1-3-5-13/h1-9H,11-12H2,(H,23,24,26)