1-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]piperidine-3-carboxylic acid Openeye Name: 1-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)piperidine-3-carboxylic acid CAS Name: 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-3-piperidinecarboxylic acid IUPAC Name: 1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)piperidine-3-carboxylic acid Traditional Name: 1-(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)nipecotic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CS(=O)(=O)C3=CC=CC=C23)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CS(=O)(=O)C3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C14H17NO4S/c16-14(17)10-4-3-7-15(8-10)12-9-20(18,19)13-6-2-1-5-11(12)13/h1-2,5-6,10,12H,3-4,7-9H2,(H,16,17)