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

Systemtic Name: butan-2-yl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-4-12(3)24-15(22)10-25-18-20-16(14(9-19)17(23)21-18)13-7-5-11(2)6-8-13/h5-8,12H,4,10H2,1-3H3,(H,20,21,23)