ethyl 2-(1H-indol-3-ylsulfanylmethyl)pyridine-4-carboxylate

Systemtic Name: ethyl 2-(1H-indol-3-ylsulfanylmethyl)pyridine-4-carboxylate Openeye Name: ethyl 2-(1H-indol-3-ylsulfanylmethyl)pyridine-4-carboxylate CAS Name: 2-[(1H-indol-3-ylthio)methyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-indol-3-ylsulfanylmethyl)pyridine-4-carboxylate Traditional Name: 2-[(1H-indol-3-ylthio)methyl]isonicotinic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1)CSC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)CSC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H16N2O2S/c1-2-21-17(20)12-7-8-18-13(9-12)11-22-16-10-19-15-6-4-3-5-14(15)16/h3-10,19H,2,11H2,1H3