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

Systemtic Name: methyl 4-[[2-[2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H18N2O3S/c1-29-25(28)18-12-10-17(11-13-18)16-30-22-8-4-2-6-19(22)14-20(15-26)24-27-21-7-3-5-9-23(21)31-24/h2-14H,16H2,1H3