(E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromo-4-nitro-phenyl)-2-furyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromo-4-nitrophenyl)-2-furanyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromo-4-nitrophenyl)furan-2-yl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[5-(2-bromo-4-nitro-phenyl)-2-furyl]pent-4-enoate Formula: C22H14BrN2O5S- MolecularWeight: 498.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/CCC(=O)[O-]

InChI

InChI=1S/C22H15BrN2O5S/c23-17-12-14(25(28)29)6-8-16(17)19-9-7-15(30-19)11-13(5-10-21(26)27)22-24-18-3-1-2-4-20(18)31-22/h1-4,6-9,11-12H,5,10H2,(H,26,27)/p-1/b13-11+