2-[4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(5-chloro-2-thienyl)methylthio]acetyl]piperazino]acetic acid Formula: C13H17ClN2O3S2 MolecularWeight: 348.86868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=C(S2)Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CSCC2=CC=C(S2)Cl

InChI

InChI=1S/C13H17ClN2O3S2/c14-11-2-1-10(21-11)8-20-9-12(17)16-5-3-15(4-6-16)7-13(18)19/h1-2H,3-9H2,(H,18,19)