2-[4-[(2-butyl-5-methoxycarbonyl-thieno[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-methoxycarbonyl-thieno[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-methoxycarbonyl-thieno[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-methoxycarbonyl-3-thieno[2,3-d]imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-methoxycarbonylthieno[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbomethoxy-thien[2,3-d]imidazol-3-yl)methyl]phenyl]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC(=C2)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC(=C2)C(=O)OC

InChI

InChI=1S/C25H24N2O4S/c1-3-4-9-22-26-20-14-21(25(30)31-2)32-23(20)27(22)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)24(28)29/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,28,29)