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

Systemtic Name: 3-methyl-4-propyl-2-sulfanylidene-1H-quinoline-6-carboxylic acid Openeye Name: 3-methyl-4-propyl-2-thioxo-1H-quinoline-6-carboxylic acid CAS Name: 3-methyl-4-propyl-2-sulfanylidene-1H-quinoline-6-carboxylic acid IUPAC Name: 3-methyl-4-propyl-2-sulfanylidene-1H-quinoline-6-carboxylic acid Traditional Name: 3-methyl-4-propyl-2-thioxo-1H-quinoline-6-carboxylic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=S)NC2=C1C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCC1=C(C(=S)NC2=C1C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C14H15NO2S/c1-3-4-10-8(2)13(18)15-12-6-5-9(14(16)17)7-11(10)12/h5-7H,3-4H2,1-2H3,(H,15,18)(H,16,17)