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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-nitrophenyl)-2-furyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(2-nitrophenyl)-2-furanyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(2-nitrophenyl)-2-furyl]acrylate Formula: C20H11N2O6S- MolecularWeight: 407.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N2O6S/c23-19(24)18(29-20-21-14-6-2-4-8-17(14)28-20)11-12-9-10-16(27-12)13-5-1-3-7-15(13)22(25)26/h1-11H,(H,23,24)/p-1/b18-11+