3-[2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(7-methoxy-4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(7-methoxy-4-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4S/c1-12-8-19(22-17-10-15(26-2)6-7-16(12)17)27-11-18(23)21-14-5-3-4-13(9-14)20(24)25/h3-10H,11H2,1-2H3,(H,21,23)(H,24,25)