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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)[O-]

InChI

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