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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CSC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=NC=CN1CC2=CSC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-14-4-5-15(9)7-10-6-12(19-8-10)11(16)2-3-13(17)18/h4-6,8H,2-3,7H2,1H3,(H,17,18)