3-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C)C

InChI

InChI=1S/C21H20N2O3S/c1-12-7-14(3)20-17(8-12)13(2)9-19(23-20)27-11-18(24)22-16-6-4-5-15(10-16)21(25)26/h4-10H,11H2,1-3H3,(H,22,24)(H,25,26)