1,3-benzothiazol-2-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C20H19NO5S/c1-23-15-11-17(25-3)16(24-2)10-13(15)8-9-20(22)26-12-19-21-14-6-4-5-7-18(14)27-19/h4-11H,12H2,1-3H3/b9-8+