ethyl 4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[3-(methylthio)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[3-(methylthio)propanoyl]isonipecotic acid ethyl ester Formula: C19H26ClNO3S MolecularWeight: 383.93264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCSC)CC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCSC)CC2=CC=CC=C2Cl

InChI

InChI=1S/C19H26ClNO3S/c1-3-24-18(23)19(14-15-6-4-5-7-16(15)20)9-11-21(12-10-19)17(22)8-13-25-2/h4-7H,3,8-14H2,1-2H3