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

Systemtic Name: 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]amino]benzoate Openeye Name: 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]amino]benzoate CAS Name: 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoate IUPAC Name: 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]amino]benzoate Formula: C17H10N3O2S- MolecularWeight: 320.3452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N/C=C(\C#N)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H11N3O2S/c18-9-11(16-20-14-7-3-4-8-15(14)23-16)10-19-13-6-2-1-5-12(13)17(21)22/h1-8,10,19H,(H,21,22)/p-1/b11-10+