3-methyl-4-[4-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-[4-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-[4-(2-methylimidazol-1-yl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 3-methyl-4-[4-(2-methyl-1-imidazolyl)-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 3-methyl-4-[4-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-[4-(2-methylimidazol-1-yl)-2-thienyl]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CSC(=C2)C(=O)C(C)CC(=O)O

Isomeric SMILES

CC1=NC=CN1C2=CSC(=C2)C(=O)C(C)CC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8(5-12(16)17)13(18)11-6-10(7-19-11)15-4-3-14-9(15)2/h3-4,6-8H,5H2,1-2H3,(H,16,17)