2-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(N-tert-butoxycarbonylanilino)propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-(N-tert-butoxycarbonylanilino)propylthio]benzimidazol-1-yl]acetic acid Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)30-22(29)25(17-10-5-4-6-11-17)14-9-15-31-21-24-18-12-7-8-13-19(18)26(21)16-20(27)28/h4-8,10-13H,9,14-16H2,1-3H3,(H,27,28)