(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)CN4CCCC4=O)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)CN4CCCC4=O)Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-30-19-9-8-17-11-18(22(24)25-20(17)12-19)14-29-23(28)16-6-4-15(5-7-16)13-26-10-2-3-21(26)27/h4-9,11-12H,2-3,10,13-14H2,1H3