2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)sulfanylquinoline-4-carboxylic acid CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)thio]cinchoninic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-18-12(15)7-19-11-6-9(13(16)17)8-4-2-3-5-10(8)14-11/h2-6H,7H2,1H3,(H,16,17)