cyanomethyl (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoate

Systemtic Name: cyanomethyl (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoate Openeye Name: cyanomethyl (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-benzyloxyphenyl)but-3-enoate CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)-3-butenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-phenylmethoxyphenyl)but-3-enoate Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-benzoxyphenyl)but-3-enoic acid cyanomethyl ester Formula: C26H20N2O3S MolecularWeight: 440.5136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C=C(CC(=O)OCC#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C(/CC(=O)OCC#N)\C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H20N2O3S/c27-13-14-30-25(29)17-21(26-28-23-11-4-5-12-24(23)32-26)15-20-9-6-10-22(16-20)31-18-19-7-2-1-3-8-19/h1-12,15-16H,14,17-18H2/b21-15-