(E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-nitrophenyl)pent-4-enoate Formula: C18H13N2O4S- MolecularWeight: 353.37182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4S/c21-17(22)10-9-13(11-12-5-1-3-7-15(12)20(23)24)18-19-14-6-2-4-8-16(14)25-18/h1-8,11H,9-10H2,(H,21,22)/p-1/b13-11+