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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzoic acid Formula: C17H10N2O2S MolecularWeight: 306.3385

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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)/b13-9+