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

Systemtic Name: methyl 4-[[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenoxy]methyl]benzoic acid methyl ester Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H19NO3S/c1-27-24(26)19-12-10-17(11-13-19)16-28-21-8-4-2-6-18(21)14-15-23-25-20-7-3-5-9-22(20)29-23/h2-15H,16H2,1H3/b15-14+