4,5-dimethoxy-2-[2-(6-methoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(6-methoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-[(6-methoxy-3-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[2-[(6-methoxy-3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(6-methoxy-3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

InChI

InChI=1S/C22H22N2O6S/c1-12-7-13-8-14(28-2)5-6-16(13)24-21(12)31-11-20(25)23-17-10-19(30-4)18(29-3)9-15(17)22(26)27/h5-10H,11H2,1-4H3,(H,23,25)(H,26,27)