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

Systemtic Name: diethyl 5-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C(=O)OCC

InChI

InChI=1S/C24H24N2O5S/c1-4-30-23(28)16-11-17(24(29)31-5-2)13-18(12-16)25-21(27)14-32-22-10-15(3)19-8-6-7-9-20(19)26-22/h6-13H,4-5,14H2,1-3H3,(H,25,27)