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

Systemtic Name: 5-chloranyl-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propyl-imidazole-4-carboxylic acid Openeye Name: 5-chloro-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]-2-propyl-imidazole-4-carboxylic acid CAS Name: 5-chloro-3-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-chloro-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-2-propyl-imidazole-4-carboxylic acid Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-3-7-15-22-17(21)16(18(24)25)23(15)12-13-8-9-14(28-13)20(10-5-6-11-20)19(26)27-4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,24,25)