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

Systemtic Name: 4-oxidanylidene-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid Openeye Name: 4-oxo-4-[3-phenyl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]butanoic acid CAS Name: 4-oxo-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid IUPAC Name: 4-oxo-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid Traditional Name: 4-keto-4-[5-phenyl-3-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c20-16(8-9-17(21)22)19-14(12-5-2-1-3-6-12)11-13(18-19)15-7-4-10-23-15/h1-7,10,14H,8-9,11H2,(H,21,22)