ethyl (3S)-1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]nipecotic acid ethyl ester Formula: C19H23ClN2O2S MolecularWeight: 378.91612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C19H23ClN2O2S/c1-3-24-19(23)14-5-4-8-22(11-14)12-15-9-13-6-7-16(25-2)10-17(13)21-18(15)20/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3/t14-/m0/s1