methyl 2-methylsulfanyl-5-(2-piperidin-1-ylethanoyl)benzoate

Systemtic Name: methyl 2-methylsulfanyl-5-(2-piperidin-1-ylethanoyl)benzoate Openeye Name: methyl 2-methylsulfanyl-5-[2-(1-piperidyl)acetyl]benzoate CAS Name: 2-(methylthio)-5-[1-oxo-2-(1-piperidinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-5-(2-piperidin-1-ylacetyl)benzoate Traditional Name: 2-(methylthio)-5-(2-piperidinoacetyl)benzoic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)CN2CCCCC2)SC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)CN2CCCCC2)SC

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)13-10-12(6-7-15(13)21-2)14(18)11-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3