[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H17ClN2O3S/c1-10-6-7-12(18)9-14(10)20-15(21)11(2)23-17(22)13-5-4-8-19-16(13)24-3/h4-9,11H,1-3H3,(H,20,21)