5-bromanyl-1-benzothiophene-3-carboxylate

Systemtic Name: 5-bromanyl-1-benzothiophene-3-carboxylate Openeye Name: 5-bromobenzothiophene-3-carboxylate CAS Name: 5-bromo-1-benzothiophene-3-carboxylate IUPAC Name: 5-bromo-1-benzothiophene-3-carboxylate Traditional Name: 5-bromobenzothiophene-3-carboxylate Formula: C9H4BrO2S- MolecularWeight: 256.09586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CS2)C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CS2)C(=O)[O-]

InChI

InChI=1S/C9H5BrO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)/p-1