[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O3S/c1-11(16(22)21-13-6-7-13)24-18(23)15-3-2-10-20-17(15)25-14-8-4-12(19)5-9-14/h2-5,8-11,13H,6-7H2,1H3,(H,21,22)/t11-/m1/s1