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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CSCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CSCCC(=O)O)Cl

InChI

InChI=1S/C12H11ClO2S2/c13-12-8-3-1-2-4-9(8)17-10(12)7-16-6-5-11(14)15/h1-4H,5-7H2,(H,14,15)