(E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]but-3-enoic acid Formula: C24H17N3O2S2 MolecularWeight: 443.54068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(CC(=O)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(\CC(=O)O)/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H17N3O2S2/c28-22(29)14-16(24-25-19-9-4-5-10-20(19)31-24)13-17-15-27(18-7-2-1-3-8-18)26-23(17)21-11-6-12-30-21/h1-13,15H,14H2,(H,28,29)/b16-13+