propan-2-yl 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: isopropyl 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinic acid isopropyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-14(2)24-19(23)16-9-6-11-21-18(16)25-13-17(22)20-12-10-15-7-4-3-5-8-15/h3-9,11,14H,10,12-13H2,1-2H3,(H,20,22)