4,5-dimethoxy-2-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

Isomeric SMILES

CC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

InChI

InChI=1S/C21H20N2O5S/c1-12-8-13-6-4-5-7-15(13)23-20(12)29-11-19(24)22-16-10-18(28-3)17(27-2)9-14(16)21(25)26/h4-10H,11H2,1-3H3,(H,22,24)(H,25,26)