3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-ethyl-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-ethyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]-5-ethyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-5-ethyl-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-ethyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-ethyl-2-propyl-imidazole-4-carboxylic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(S2)C3(CC=CC3)C(=O)OCC)C(=O)O)CC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(S2)C3(CC=CC3)C(=O)OCC)C(=O)O)CC

InChI

InChI=1S/C22H28N2O4S/c1-4-9-18-23-16(5-2)19(20(25)26)24(18)14-15-10-11-17(29-15)22(12-7-8-13-22)21(27)28-6-3/h7-8,10-11H,4-6,9,12-14H2,1-3H3,(H,25,26)