3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylquinoline-2-carboxylic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylquinoline-2-carboxylic acid Openeye Name: 3-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylquinoline-2-carboxylic acid CAS Name: 3-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-quinolinecarboxylic acid IUPAC Name: 3-(1-hydroxy-1-oxopropan-2-yl)sulfanylquinoline-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]quinaldic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CC(C(=O)O)SC1=CC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-7(12(15)16)19-10-6-8-4-2-3-5-9(8)14-11(10)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)