5-isocyano-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-isocyano-1-benzothiophene-2-carboxylic acid Openeye Name: 5-isocyanobenzothiophene-2-carboxylic acid CAS Name: 5-isocyano-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-isocyano-1-benzothiophene-2-carboxylic acid Traditional Name: 5-isocyanobenzothiophene-2-carboxylic acid Formula: C10H5NO2S MolecularWeight: 203.2172

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)SC(=C2)C(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)SC(=C2)C(=O)O

InChI

InChI=1S/C10H5NO2S/c1-11-7-2-3-8-6(4-7)5-9(14-8)10(12)13/h2-5H,(H,12,13)