(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(4-ethanoylphenyl)furan-2-yl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(4-ethanoylphenyl)furan-2-yl]prop-2-enoate Openeye Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoate CAS Name: (E)-3-[5-(4-acetylphenyl)-2-furanyl]-2-(1,3-benzoxazol-2-ylthio)-2-propenoate IUPAC Name: (E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoate Traditional Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(1,3-benzoxazol-2-ylthio)acrylate Formula: C22H14NO5S- MolecularWeight: 404.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H15NO5S/c1-13(24)14-6-8-15(9-7-14)18-11-10-16(27-18)12-20(21(25)26)29-22-23-17-4-2-3-5-19(17)28-22/h2-12H,1H3,(H,25,26)/p-1/b20-12+