2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-14(12-8-18-13-6-2-1-4-10(12)13)9-22-15-11(16(20)21)5-3-7-17-15/h1-8,18H,9H2,(H,20,21)