[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H18N2O3S/c1-3-12-6-4-7-13-15(10-21-17(12)13)16(22)11-24-19(23)14-8-5-9-20-18(14)25-2/h4-10,21H,3,11H2,1-2H3