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

Systemtic Name: 2-methylpropyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-10(2)8-24-14(22)9-25-17-20-15(13(7-19)16(23)21-17)11-3-5-12(18)6-4-11/h3-6,10H,8-9H2,1-2H3,(H,20,21,23)