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

Systemtic Name: 2-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-benzyloxy-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-oxo-2-phenylmethoxyethyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-oxo-2-phenylmethoxyethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-benzoxy-2-keto-ethyl)thio]nicotinic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4S/c17-13(20-9-11-5-2-1-3-6-11)10-21-14-12(15(18)19)7-4-8-16-14/h1-8H,9-10H2,(H,18,19)