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

Systemtic Name: ethyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C18H19N3O3S/c1-4-14(17(23)24-5-2)25-18-20-15(13(10-19)16(22)21-18)12-8-6-11(3)7-9-12/h6-9,14H,4-5H2,1-3H3,(H,20,21,22)