dimethyl 5-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H20N2O5S/c1-13-8-20(24-18-7-5-4-6-17(13)18)30-12-19(25)23-16-10-14(21(26)28-2)9-15(11-16)22(27)29-3/h4-11H,12H2,1-3H3,(H,23,25)