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

Systemtic Name: 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid Formula: C21H11ClN2O3S2 MolecularWeight: 438.90664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClN2O3S2/c22-16-7-5-12(9-15(16)20(25)26)18-8-6-13(27-18)10-14(11-23)28-21-24-17-3-1-2-4-19(17)29-21/h1-10H,(H,25,26)