2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c18-13(17-9-11-5-2-1-3-6-11)10-21-14-12(15(19)20)7-4-8-16-14/h1-8H,9-10H2,(H,17,18)(H,19,20)