3-butyl-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid

Systemtic Name: 3-butyl-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-butyl-2-methyl-4-thioxo-1H-quinoline-6-carboxylic acid CAS Name: 3-butyl-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid IUPAC Name: 3-butyl-2-methyl-4-sulfanylidene-1H-quinoline-6-carboxylic acid Traditional Name: 3-butyl-2-methyl-4-thioxo-1H-quinoline-6-carboxylic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC2=C(C1=S)C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC2=C(C1=S)C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H17NO2S/c1-3-4-5-11-9(2)16-13-7-6-10(15(17)18)8-12(13)14(11)19/h6-8H,3-5H2,1-2H3,(H,16,19)(H,17,18)