2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1S)-2-hydroxy-2-oxo-1-phenylethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]thio]nicotinic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H11NO4S/c16-13(17)10-7-4-8-15-12(10)20-11(14(18)19)9-5-2-1-3-6-9/h1-8,11H,(H,16,17)(H,18,19)/t11-/m0/s1