2-[2-(1H-indol-6-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1H-indol-6-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(1H-indol-6-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1H-indol-6-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1H-indol-6-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(1H-indol-6-ylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=CC3=C(C=C2)C=CN3)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=CC3=C(C=C2)C=CN3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c20-14(9-23-15-12(16(21)22)2-1-6-18-15)19-11-4-3-10-5-7-17-13(10)8-11/h1-8,17H,9H2,(H,19,20)(H,21,22)