(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-isobutoxyphenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(2-methylpropoxy)phenyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-isobutoxyphenyl)acrylate Formula: C20H18NO4S- MolecularWeight: 368.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H19NO4S/c1-13(2)12-24-15-9-7-14(8-10-15)11-18(19(22)23)26-20-21-16-5-3-4-6-17(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b18-11+