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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3,4-diethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3,4-diethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3,4-diethoxyphenyl)acrylate Formula: C20H18NO5S- MolecularWeight: 384.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C20H19NO5S/c1-3-24-16-10-9-13(11-17(16)25-4-2)12-18(19(22)23)27-20-21-14-7-5-6-8-15(14)26-20/h5-12H,3-4H2,1-2H3,(H,22,23)/p-1/b18-12+