3-methyl-4-oxidanylidene-4-(5-pyrazol-1-ylthiophen-2-yl)butanoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-4-(5-pyrazol-1-ylthiophen-2-yl)butanoic acid Openeye Name: 3-methyl-4-oxo-4-(5-pyrazol-1-yl-2-thienyl)butanoic acid CAS Name: 3-methyl-4-oxo-4-[5-(1-pyrazolyl)-2-thiophenyl]butanoic acid IUPAC Name: 3-methyl-4-oxo-4-(5-pyrazol-1-ylthiophen-2-yl)butanoic acid Traditional Name: 4-keto-3-methyl-4-(5-pyrazol-1-yl-2-thienyl)butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(S1)N2C=CC=N2

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC=C(S1)N2C=CC=N2

InChI

InChI=1S/C12H12N2O3S/c1-8(7-11(15)16)12(17)9-3-4-10(18-9)14-6-2-5-13-14/h2-6,8H,7H2,1H3,(H,15,16)