2-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid

Systemtic Name: 2-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid Openeye Name: 2-[2-(4,4-dimethyl-2-thioxo-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid CAS Name: 2-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid IUPAC Name: 2-[2-(4,4-dimethyl-2-sulfanylidene-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid Traditional Name: 2-[2-(4,4-dimethyl-2-thioxo-1,3-dihydroquinolin-7-yl)ethynyl]benzoic acid Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=S)NC2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1(CC(=S)NC2=C1C=CC(=C2)C#CC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C20H17NO2S/c1-20(2)12-18(24)21-17-11-13(8-10-16(17)20)7-9-14-5-3-4-6-15(14)19(22)23/h3-6,8,10-11H,12H2,1-2H3,(H,21,24)(H,22,23)