methyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid methyl ester Formula: C22H14N2O3S MolecularWeight: 386.42316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H14N2O3S/c1-26-22(25)15-8-6-14(7-9-15)19-11-10-17(27-19)12-16(13-23)21-24-18-4-2-3-5-20(18)28-21/h2-12H,1H3/b16-12+