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

Systemtic Name: 4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]benzoic acid CAS Name: 4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]benzoic acid Formula: C23H14N2O2S2 MolecularWeight: 414.49946

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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)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C(=O)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H14N2O2S2/c26-23(27)15-11-9-14(10-12-15)13-16(21-24-17-5-1-3-7-19(17)28-21)22-25-18-6-2-4-8-20(18)29-22/h1-13H,(H,26,27)