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

Systemtic Name: methyl 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: methyl 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 3-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 3-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-furyl]benzoic acid methyl ester Formula: C22H14N2O3S2 MolecularWeight: 418.48816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O3S2/c1-26-21(25)15-6-4-5-14(11-15)19-10-9-16(27-19)12-17(13-23)28-22-24-18-7-2-3-8-20(18)29-22/h2-12H,1H3