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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-12(16(23)22-19(2,3)4)25-18(24)15-6-5-11-21-17(15)26-14-9-7-13(20)8-10-14/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1