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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(p-tolylsulfanyl)-2-furyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-[(4-methylphenyl)thio]-2-furanyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(p-tolylthio)-2-furyl]acrylate Formula: C21H14NO4S2- MolecularWeight: 408.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H15NO4S2/c1-13-6-9-15(10-7-13)27-19-11-8-14(25-19)12-18(20(23)24)28-21-22-16-4-2-3-5-17(16)26-21/h2-12H,1H3,(H,23,24)/p-1/b18-12+