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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylate Formula: C19H13N2O5S- MolecularWeight: 381.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O5S/c1-24-16-10-12(6-7-15(16)25-9-8-20)11-17(18(22)23)27-19-21-13-4-2-3-5-14(13)26-19/h2-7,10-11H,9H2,1H3,(H,22,23)/p-1/b17-11+