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

Systemtic Name: 4-[5-[5-(2-methylimidazol-1-yl)pentyl]thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[5-(2-methylimidazol-1-yl)pentyl]-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[5-(2-methyl-1-imidazolyl)pentyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-[5-(2-methylimidazol-1-yl)pentyl]thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-[5-(2-methylimidazol-1-yl)pentyl]-2-thienyl]butyric acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=NC=CN1CCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H22N2O3S/c1-13-18-10-12-19(13)11-4-2-3-5-14-6-8-16(23-14)15(20)7-9-17(21)22/h6,8,10,12H,2-5,7,9,11H2,1H3,(H,21,22)