2-(3-methoxy-3-oxidanylidene-propyl)sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-3-oxidanylidene-propyl)sulfanylquinoline-4-carboxylic acid Openeye Name: 2-(3-methoxy-3-oxo-propyl)sulfanylquinoline-4-carboxylic acid CAS Name: 2-[(3-methoxy-3-oxopropyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-3-oxopropyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-[(3-keto-3-methoxy-propyl)thio]cinchoninic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

COC(=O)CCSC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C14H13NO4S/c1-19-13(16)6-7-20-12-8-10(14(17)18)9-4-2-3-5-11(9)15-12/h2-5,8H,6-7H2,1H3,(H,17,18)