2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-anilino-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-anilino-2-oxoethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]nicotinic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12N2O3S/c17-12(16-10-5-2-1-3-6-10)9-20-13-11(14(18)19)7-4-8-15-13/h1-8H,9H2,(H,16,17)(H,18,19)