(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-isopropoxy-3-methoxy-phenyl)acrylate Formula: C20H18NO5S- MolecularWeight: 384.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C20H19NO5S/c1-12(2)25-16-9-8-13(10-17(16)24-3)11-18(19(22)23)27-20-21-14-6-4-5-7-15(14)26-20/h4-12H,1-3H3,(H,22,23)/p-1/b18-11+