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

Systemtic Name: 2-butyl-3-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[5-(1-carboxy-1-cyclopent-3-enyl)-2-thiophenyl]methyl]-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[5-(1-carboxycyclopent-3-en-1-yl)thiophen-2-yl]methyl]-5-chloroimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[5-(1-carboxycyclopent-3-en-1-yl)-2-thienyl]methyl]-5-chloro-imidazole-4-carboxylic acid Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-2-3-6-14-21-16(20)15(17(23)24)22(14)11-12-7-8-13(27-12)19(18(25)26)9-4-5-10-19/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,23,24)(H,25,26)