diethyl 2-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate

Systemtic Name: diethyl 2-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Openeye Name: diethyl 2-methyl-5-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]furan-3,4-dicarboxylate CAS Name: 2-methyl-5-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]furan-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Traditional Name: 2-methyl-5-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]furan-3,4-dicarboxylic acid diethyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C25H28N2O6S/c1-6-18(34-19-13-14(4)16-11-9-10-12-17(16)26-19)22(28)27-23-21(25(30)32-8-3)20(15(5)33-23)24(29)31-7-2/h9-13,18H,6-8H2,1-5H3,(H,27,28)