4-oxidanylidene-4-[4-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoic acid Openeye Name: 4-oxo-4-[4-(pyrazol-1-ylmethyl)-2-thienyl]butanoic acid CAS Name: 4-oxo-4-[4-(1-pyrazolylmethyl)-2-thiophenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoic acid Traditional Name: 4-keto-4-[4-(pyrazol-1-ylmethyl)-2-thienyl]butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CSC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(N=C1)CC2=CSC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c15-10(2-3-12(16)17)11-6-9(8-18-11)7-14-5-1-4-13-14/h1,4-6,8H,2-3,7H2,(H,16,17)