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

Systemtic Name: 2-[2-(3-ethyl-6-methoxy-quinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(3-ethyl-6-methoxy-2-quinolyl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(3-ethyl-6-methoxy-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(3-ethyl-6-methoxy-2-quinolyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

Isomeric SMILES

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC

InChI

InChI=1S/C23H24N2O6S/c1-5-13-8-14-9-15(29-2)6-7-17(14)25-22(13)32-12-21(26)24-18-11-20(31-4)19(30-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)