1-pentyl-4-sulfanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-pentyl-4-sulfanylidene-quinoline-3-carboxylic acid Openeye Name: 1-pentyl-4-thioxo-quinoline-3-carboxylic acid CAS Name: 1-pentyl-4-sulfanylidene-3-quinolinecarboxylic acid IUPAC Name: 1-pentyl-4-sulfanylidenequinoline-3-carboxylic acid Traditional Name: 1-amyl-4-thioxo-quinoline-3-carboxylic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(C(=S)C2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCN1C=C(C(=S)C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H17NO2S/c1-2-3-6-9-16-10-12(15(17)18)14(19)11-7-4-5-8-13(11)16/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)