propan-2-yl 4-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid isopropyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC(C)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC(C)C)C#N

InChI

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