3-butyl-5-methylsulfanyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid

Systemtic Name: 3-butyl-5-methylsulfanyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid Openeye Name: 3-butyl-5-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylic acid CAS Name: 3-butyl-5-(methylthio)-4-oxo-1H-quinoline-2-carboxylic acid IUPAC Name: 3-butyl-5-methylsulfanyl-4-oxo-1H-quinoline-2-carboxylic acid Traditional Name: 3-butyl-4-keto-5-(methylthio)-1H-quinoline-2-carboxylic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=O)C(=CC=C2)SC)C(=O)O

Isomeric SMILES

CCCCC1=C(NC2=C(C1=O)C(=CC=C2)SC)C(=O)O

InChI

InChI=1S/C15H17NO3S/c1-3-4-6-9-13(15(18)19)16-10-7-5-8-11(20-2)12(10)14(9)17/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)(H,18,19)