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

Systemtic Name: 2-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(3-ethyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(3-ethyl-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:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

InChI

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