(E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitro-phenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitro-phenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitro-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitrophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitrophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4,5-dimethoxy-2-nitro-phenyl)but-3-enoate Formula: C19H15N2O6S- MolecularWeight: 399.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16N2O6S/c1-26-15-8-11(14(21(24)25)10-16(15)27-2)7-12(9-18(22)23)19-20-13-5-3-4-6-17(13)28-19/h3-8,10H,9H2,1-2H3,(H,22,23)/p-1/b12-7+