ethyl (3S)-1-[2-(2-methoxyethylsulfanyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2-methoxyethylsulfanyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methoxyethylsulfanyl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(2-methoxyethylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methoxyethylsulfanyl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-methoxyethylthio)benzoyl]nipecotic acid ethyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SCCOC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=CC=C2SCCOC

InChI

InChI=1S/C18H25NO4S/c1-3-23-18(21)14-7-6-10-19(13-14)17(20)15-8-4-5-9-16(15)24-12-11-22-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3/t14-/m0/s1