1,3-benzothiazol-2-ylmethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NC3=CC=CC=C3S2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3S2)OCC#N

InChI

InChI=1S/C20H16N2O4S/c1-24-17-12-14(6-8-16(17)25-11-10-21)7-9-20(23)26-13-19-22-15-4-2-3-5-18(15)27-19/h2-9,12H,11,13H2,1H3/b9-7+