[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O3S/c1-26-18-15(6-4-9-21-18)19(24)25-12-17(23)20-10-8-13-11-22-16-7-3-2-5-14(13)16/h2-7,9,11,22H,8,10,12H2,1H3,(H,20,23)