methyl 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-chloro-5-methylsulfanyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]isonipecotic acid methyl ester Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C15H18ClNO3S/c1-20-15(19)10-5-7-17(8-6-10)14(18)12-9-11(21-2)3-4-13(12)16/h3-4,9-10H,5-8H2,1-2H3