4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)pent-4-enoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)pent-4-enoic acid Openeye Name: 4-(1,3-benzothiazol-2-yl)-5-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]pent-4-enoic acid CAS Name: 4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-4-pentenoic acid IUPAC Name: 4-(1,3-benzothiazol-2-yl)-5-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)pent-4-enoic acid Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]pent-4-enoic acid Formula: C25H19N3O2S2 MolecularWeight: 457.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O2S2/c29-23(30)13-12-17(25-26-20-9-4-5-10-21(20)32-25)15-18-16-28(19-7-2-1-3-8-19)27-24(18)22-11-6-14-31-22/h1-11,14-16H,12-13H2,(H,29,30)