[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-2-9-19-15(21)11-23-17(22)12-6-5-10-20-16(12)24-14-8-4-3-7-13(14)18/h1,3-8,10H,9,11H2,(H,19,21)