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

Systemtic Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H12ClN3O3S/c1-8(14(21)22-2)23-15-18-12(11(7-17)13(20)19-15)9-3-5-10(16)6-4-9/h3-6,8H,1-2H3,(H,18,19,20)