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

Systemtic Name: methyl 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoate Openeye Name: methyl 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoate CAS Name: 5-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid methyl ester Formula: C22H13ClN2O3S2 MolecularWeight: 452.93322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13ClN2O3S2/c1-27-21(26)16-10-13(6-8-17(16)23)19-9-7-14(28-19)11-15(12-24)29-22-25-18-4-2-3-5-20(18)30-22/h2-11H,1H3