1-ethyl-7-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-7-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-methylsulfanyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-(methylthio)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-methylsulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(methylthio)quinoline-3-carboxylic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)SC)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)SC)C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-3-14-7-10(13(16)17)12(15)9-5-4-8(18-2)6-11(9)14/h4-7H,3H2,1-2H3,(H,16,17)