4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzoate Formula: C17H9N2O2S- MolecularWeight: 305.33056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C17H10N2O2S/c18-10-13(9-11-5-7-12(8-6-11)17(20)21)16-19-14-3-1-2-4-15(14)22-16/h1-9H,(H,20,21)/p-1/b13-9+