1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5-chloro-2-thienyl)methylthio]acetyl]isonipecotic acid Formula: C13H16ClNO3S2 MolecularWeight: 333.85404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC=C(S2)Cl

InChI

InChI=1S/C13H16ClNO3S2/c14-11-2-1-10(20-11)7-19-8-12(16)15-5-3-9(4-6-15)13(17)18/h1-2,9H,3-8H2,(H,17,18)