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

Systemtic Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoic acid Openeye Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]benzoic acid CAS Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoic acid IUPAC Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoic acid Traditional Name: 3-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]benzoic acid Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=CC3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=C/C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H11NO2S/c18-16(19)12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)20-15/h1-10H,(H,18,19)/b9-8+