3-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-1-benzothiophene-2-sulfonic acid

Systemtic Name: 3-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-1-benzothiophene-2-sulfonic acid Openeye Name: 3-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]benzothiophene-2-sulfonic acid CAS Name: 3-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-1-benzothiophene-2-sulfonic acid IUPAC Name: 3-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-1-benzothiophene-2-sulfonic acid Traditional Name: 3-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]benzothiophene-2-sulfonic acid Formula: C12H8N2O4S2 MolecularWeight: 308.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)S(=O)(=O)O)C=C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)S(=O)(=O)O)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C12H8N2O4S2/c13-6-7(11(14)15)5-9-8-3-1-2-4-10(8)19-12(9)20(16,17)18/h1-5H,(H2,14,15)(H,16,17,18)/b7-5+