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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitro-phenyl]pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitro-phenyl]pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitrophenyl]-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitrophenyl]pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(dimethylamino)-3-nitro-phenyl]pent-4-enoate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-22(2)16-9-7-13(12-17(16)23(26)27)11-14(8-10-19(24)25)20-21-15-5-3-4-6-18(15)28-20/h3-7,9,11-12H,8,10H2,1-2H3,(H,24,25)/p-1/b14-11+