(Z)-2-oxidanylidene-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-2-oxidanylidene-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-2-oxo-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-2-oxo-4-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-2-keto-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3-(2-quinolyl)but-3-enoic acid Formula: C26H17N3O3S MolecularWeight: 451.49648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C(C4=NC5=CC=CC=C5C=C4)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C(/C4=NC5=CC=CC=C5C=C4)\C(=O)C(=O)O

InChI

InChI=1S/C26H17N3O3S/c30-25(26(31)32)20(22-13-12-17-7-4-5-10-21(17)27-22)15-18-16-29(19-8-2-1-3-9-19)28-24(18)23-11-6-14-33-23/h1-16H,(H,31,32)/b20-15-