3-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-12-10-18(23-19-16(12)8-5-9-17(19)27-3)28-13(2)20(24)22-15-7-4-6-14(11-15)21(25)26/h4-11,13H,1-3H3,(H,22,24)(H,25,26)