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

Systemtic Name: 2-butyl-5-chloranyl-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)-2-thienyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[5-(1-ethoxycarbonyl-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[5-(1-ethoxycarbonylcyclopent-3-en-1-yl)thiophen-2-yl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[5-(1-carbethoxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-imidazole-4-carboxylic acid Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3(CC=CC3)C(=O)OCC)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3(CC=CC3)C(=O)OCC)C(=O)O)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-3-5-8-16-23-18(22)17(19(25)26)24(16)13-14-9-10-15(29-14)21(11-6-7-12-21)20(27)28-4-2/h6-7,9-10H,3-5,8,11-13H2,1-2H3,(H,25,26)