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

Systemtic Name: 2-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 2-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 2-[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=C(C(=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)SC3=NC4=CC=CC=C4S3)C(=O)O

InChI

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