5-oxidanylidene-5-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)pentanoic acid

Systemtic Name: 5-oxidanylidene-5-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)pentanoic acid Openeye Name: 5-oxo-5-[5-phenyl-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]pentanoic acid CAS Name: 5-oxo-5-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)pentanoic acid IUPAC Name: 5-oxo-5-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)pentanoic acid Traditional Name: 5-keto-5-[3-phenyl-5-(2-thienyl)-2-pyrazolin-1-yl]valeric acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC=CS3

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O3S/c21-17(9-4-10-18(22)23)20-15(16-8-5-11-24-16)12-14(19-20)13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,22,23)