(E)-4-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoate

Systemtic Name: (E)-4-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoate Openeye Name: (E)-4-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoate CAS Name: (E)-4-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-3-(1,3-benzothiazol-2-yl)-3-butenoate IUPAC Name: (E)-4-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoate Traditional Name: (E)-4-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-3-(1,3-benzothiazol-2-yl)but-3-enoate Formula: C28H18N3O3S- MolecularWeight: 476.52582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(CC(=O)[O-])C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C(\CC(=O)[O-])/C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H19N3O3S/c32-26(33)16-19(28-29-22-11-5-7-13-25(22)35-28)14-20-17-31(21-9-2-1-3-10-21)30-27(20)24-15-18-8-4-6-12-23(18)34-24/h1-15,17H,16H2,(H,32,33)/p-1/b19-14+