methyl 4-[[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2-methylsulfanylbenzoyl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[3-[2-(methylthio)benzoyl]piperidino]methyl]benzoic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H25NO3S/c1-26-22(25)17-11-9-16(10-12-17)14-23-13-5-6-18(15-23)21(24)19-7-3-4-8-20(19)27-2/h3-4,7-12,18H,5-6,13-15H2,1-2H3