(E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitro-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitro-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitro-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitrophenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitrophenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-ethyl-3-nitro-phenyl)pent-4-enoic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O4S/c1-2-14-8-7-13(12-17(14)22(25)26)11-15(9-10-19(23)24)20-21-16-5-3-4-6-18(16)27-20/h3-8,11-12H,2,9-10H2,1H3,(H,23,24)/b15-11+