methyl 2-[2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(6,7-dimethoxy-3-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(6,7-dimethoxy-3-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(6,7-dimethoxy-3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6,7-dimethoxy-3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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