2-[2-[3-[(4-ethoxycarbonylphenyl)-pentanoyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[(4-ethoxycarbonylphenyl)-pentanoyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(4-ethoxycarbonyl-N-pentanoyl-anilino)propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[4-ethoxycarbonyl-N-(1-oxopentyl)anilino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-(4-ethoxycarbonyl-N-pentanoylanilino)propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-(4-carbethoxy-N-valeryl-anilino)propylthio]benzimidazol-1-yl]acetic acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H31N3O5S/c1-3-5-11-23(30)28(20-14-12-19(13-15-20)25(33)34-4-2)16-8-17-35-26-27-21-9-6-7-10-22(21)29(26)18-24(31)32/h6-7,9-10,12-15H,3-5,8,11,16-18H2,1-2H3,(H,31,32)