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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-3-10-20-16(22)12(2)24-18(23)13-7-6-11-21-17(13)25-15-9-5-4-8-14(15)19/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)/t12-/m0/s1