2-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylthio]propanoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methylthio]propionic acid Formula: C12H11ClO2S2 MolecularWeight: 286.79754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C(=O)O)SCC1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C12H11ClO2S2/c1-7(12(14)15)16-6-10-11(13)8-4-2-3-5-9(8)17-10/h2-5,7H,6H2,1H3,(H,14,15)