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

Systemtic Name: 2-(2-benzamido-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-benzamido-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-benzamido-2-oxoethyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-benzamido-2-oxoethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-benzamido-2-keto-ethyl)thio]nicotinic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O4S/c18-12(17-13(19)10-5-2-1-3-6-10)9-22-14-11(15(20)21)7-4-8-16-14/h1-8H,9H2,(H,20,21)(H,17,18,19)