3-methyl-4-[5-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-[5-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-[5-(2-methylimidazol-1-yl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 3-methyl-4-[5-(2-methyl-1-imidazolyl)-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 3-methyl-4-[5-(2-methylimidazol-1-yl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-[5-(2-methylimidazol-1-yl)-2-thienyl]butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(S2)C(=O)C(C)CC(=O)O

Isomeric SMILES

CC1=NC=CN1C2=CC=C(S2)C(=O)C(C)CC(=O)O

InChI

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