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

Systemtic Name: ethyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-3-22-13(20)9-23-16-18-14(12(8-17)15(21)19-16)11-6-4-10(2)5-7-11/h4-7H,3,9H2,1-2H3,(H,18,19,21)