4,5-dimethoxy-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(4,6,8-trimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC)C)C

InChI

InChI=1S/C23H24N2O5S/c1-12-6-14(3)22-15(7-12)13(2)8-21(25-22)31-11-20(26)24-17-10-19(30-5)18(29-4)9-16(17)23(27)28/h6-10H,11H2,1-5H3,(H,24,26)(H,27,28)