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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC(=CS1)N2C=CN=C2

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC(=CS1)N2C=CN=C2

InChI

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