[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-12(2)11-22-17(23)13(3)25-19(24)16-5-4-10-21-18(16)26-15-8-6-14(20)7-9-15/h4-10,12-13H,11H2,1-3H3,(H,22,23)/t13-/m0/s1