3-(2-quinolin-2-ylsulfanylbutanoylamino)benzoic acid

Systemtic Name: 3-(2-quinolin-2-ylsulfanylbutanoylamino)benzoic acid Openeye Name: 3-[2-(2-quinolylsulfanyl)butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-(2-quinolinylthio)butyl]amino]benzoic acid IUPAC Name: 3-(2-quinolin-2-ylsulfanylbutanoylamino)benzoic acid Traditional Name: 3-[2-(2-quinolylthio)butanoylamino]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H18N2O3S/c1-2-17(19(23)21-15-8-5-7-14(12-15)20(24)25)26-18-11-10-13-6-3-4-9-16(13)22-18/h3-12,17H,2H2,1H3,(H,21,23)(H,24,25)