(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CC(=O)N(C3)C4CCCC4)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)[C@H]3CC(=O)N(C3)C4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-28-17-7-6-13-8-15(20(22)23-18(13)10-17)12-27-21(26)14-9-19(25)24(11-14)16-4-2-3-5-16/h6-8,10,14,16H,2-5,9,11-12H2,1H3/t14-/m0/s1