(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[2-(diethylamino)-5-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[2-(diethylamino)-5-nitro-phenyl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[2-(diethylamino)-5-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[2-(diethylamino)-5-nitrophenyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[2-(diethylamino)-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[2-(diethylamino)-5-nitro-phenyl]acrylate Formula: C20H18N3O5S- MolecularWeight: 412.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H19N3O5S/c1-3-22(4-2)16-10-9-14(23(26)27)11-13(16)12-18(19(24)25)29-20-21-15-7-5-6-8-17(15)28-20/h5-12H,3-4H2,1-2H3,(H,24,25)/p-1/b18-12+