3-[(5-chloranylthiophen-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]propanoic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]propionic acid Formula: C8H9ClO2S2 MolecularWeight: 236.73886

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCCC(=O)O

InChI

InChI=1S/C8H9ClO2S2/c9-7-2-1-6(13-7)5-12-4-3-8(10)11/h1-2H,3-5H2,(H,10,11)