4-oxidanylidene-4-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid Openeye Name: 4-oxo-4-[3-(2-pyridyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]butanoic acid CAS Name: 4-oxo-4-[3-(2-pyridinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoic acid IUPAC Name: 4-oxo-4-(3-pyridin-2-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid Traditional Name: 4-keto-4-[5-(2-pyridyl)-3-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C16H15N3O3S/c20-15(6-7-16(21)22)19-13(11-4-1-2-8-17-11)10-12(18-19)14-5-3-9-23-14/h1-5,8-9,13H,6-7,10H2,(H,21,22)