methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]isonipecotic acid methyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21NO5S/c1-21-17(20)12-4-6-18(7-5-12)16(19)11-24-13-2-3-14-15(10-13)23-9-8-22-14/h2-3,10,12H,4-9,11H2,1H3