(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3,4,5-trimethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3,4,5-trimethoxyphenyl)acrylate Formula: C19H16NO6S- MolecularWeight: 386.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H17NO6S/c1-23-14-8-11(9-15(24-2)17(14)25-3)10-16(18(21)22)27-19-20-12-6-4-5-7-13(12)26-19/h4-10H,1-3H3,(H,21,22)/p-1/b16-10+