[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-(3-aminocarbonyl-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-(3-carbamoyl-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-carbamoyl-4,5,6-trimethyl-2-pyridyl)thio]acetic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)OC(C)C(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O4S/c1-10-11(2)17(19(22)26)20(23-12(10)3)28-9-16(24)27-13(4)18(25)14-5-7-15(21)8-6-14/h5-8,13H,9H2,1-4H3,(H2,22,26)