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

Systemtic Name: 3-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-chloranyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[5-(1-carboxy-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-5-chloro-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-chloro-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-2-propyl-imidazole-4-carboxylic acid Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O4S/c1-2-5-13-20-15(19)14(16(22)23)21(13)10-11-6-7-12(26-11)18(17(24)25)8-3-4-9-18/h3-4,6-7H,2,5,8-10H2,1H3,(H,22,23)(H,24,25)