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

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]isonipecotic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H19NO5S/c18-15(17-5-3-11(4-6-17)16(19)20)10-23-12-1-2-13-14(9-12)22-8-7-21-13/h1-2,9,11H,3-8,10H2,(H,19,20)