[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H18ClN3O3S/c1-10-8-11(2)20-17(19-10)25-9-15(22)24-12(3)16(23)21-14-6-4-13(18)5-7-14/h4-8,12H,9H2,1-3H3,(H,21,23)