1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)acetyl]isonipecotic acid Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H16N2O3S2/c18-13(17-7-5-10(6-8-17)14(19)20)9-21-15-16-11-3-1-2-4-12(11)22-15/h1-4,10H,5-9H2,(H,19,20)