2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-hydroxy-3-oxo-1-phenyl-propyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(3-hydroxy-3-oxo-1-phenylpropyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-hydroxy-3-oxo-1-phenylpropyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-hydroxy-3-keto-1-phenyl-propyl)thio]nicotinic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H13NO4S/c17-13(18)9-12(10-5-2-1-3-6-10)21-14-11(15(19)20)7-4-8-16-14/h1-8,12H,9H2,(H,17,18)(H,19,20)