4-oxidanylidene-4-[5-(pyrazol-1-ylmethyl)thiophen-2-yl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(S2)C(=O)CCC(=O)O

InChI

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