5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoate IUPAC Name: 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoate Formula: C21H10ClN2O3S- MolecularWeight: 405.8337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)[O-])/C#N

InChI

InChI=1S/C21H11ClN2O3S/c22-16-7-5-12(10-15(16)21(25)26)18-8-6-14(27-18)9-13(11-23)20-24-17-3-1-2-4-19(17)28-20/h1-10H,(H,25,26)/p-1/b13-9+