ethyl 1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-methoxy-4-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-methoxy-4-methylsulfanyl-benzoyl)piperidine-3-carboxylate CAS Name: 1-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methoxy-4-methylsulfanylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-[2-methoxy-4-(methylthio)benzoyl]nipecotic acid ethyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C17H23NO4S/c1-4-22-17(20)12-6-5-9-18(11-12)16(19)14-8-7-13(23-3)10-15(14)21-2/h7-8,10,12H,4-6,9,11H2,1-3H3