2-[4-[(2-butyl-5-ethoxycarbonyl-4-sulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-sulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-sulfanyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-mercapto-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-sulfanylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-4-mercapto-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)S

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)S

InChI

InChI=1S/C24H26N2O4S/c1-3-5-10-20-25-22(31)21(24(29)30-4-2)26(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(27)28/h6-9,11-14,31H,3-5,10,15H2,1-2H3,(H,27,28)