3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-furyl]benzoic acid Formula: C21H12N2O3S2 MolecularWeight: 404.46158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

InChI

InChI=1S/C21H12N2O3S2/c22-12-16(27-21-23-17-6-1-2-7-19(17)28-21)11-15-8-9-18(26-15)13-4-3-5-14(10-13)20(24)25/h1-11H,(H,24,25)