2-butyl-3-[(4-carboxyphenyl)methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-5-ethylsulfanyl-imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-5-(ethylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-5-ethylsulfanylimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxybenzyl)-5-(ethylthio)imidazole-4-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)O)SCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)C(=O)O)SCC

InChI

InChI=1S/C18H22N2O4S/c1-3-5-6-14-19-16(25-4-2)15(18(23)24)20(14)11-12-7-9-13(10-8-12)17(21)22/h7-10H,3-6,11H2,1-2H3,(H,21,22)(H,23,24)