2-[2-(3,7-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-(3,7-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(3,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(3,7-dimethyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-12-5-6-14-8-13(2)21(24-16(14)7-12)30-11-20(25)23-17-10-19(29-4)18(28-3)9-15(17)22(26)27/h5-10H,11H2,1-4H3,(H,23,25)(H,26,27)