4-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(4-methyl-2-quinolyl)thio]propanoylamino]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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