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

Systemtic Name: 4-[5-[4-(2-methylimidazol-1-yl)butyl]thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[4-(2-methylimidazol-1-yl)butyl]-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[4-(2-methyl-1-imidazolyl)butyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-[4-(2-methylimidazol-1-yl)butyl]thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[5-[4-(2-methylimidazol-1-yl)butyl]-2-thienyl]butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=NC=CN1CCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-12-17-9-11-18(12)10-3-2-4-13-5-7-15(22-13)14(19)6-8-16(20)21/h5,7,9,11H,2-4,6,8,10H2,1H3,(H,20,21)