(E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)furan-2-yl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)furan-2-yl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)-2-furyl]but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)-2-furanyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)furan-2-yl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[5-(3-nitrophenyl)-2-furyl]but-3-enoate Formula: C21H13N2O5S- MolecularWeight: 405.40332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O5S/c24-20(25)12-14(21-22-17-6-1-2-7-19(17)29-21)11-16-8-9-18(28-16)13-4-3-5-15(10-13)23(26)27/h1-11H,12H2,(H,24,25)/p-1/b14-11+