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

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]amino]benzoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]amino]benzoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]amino]benzoic acid Formula: C17H11N3O2S MolecularWeight: 321.35314

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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)NC=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)