3-[[4-acetamido-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[1-methyl-2-(2-methylsulfanylbenzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[1-[2-(methylthio)-1-benzimidazolyl]propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[1-methyl-2-[2-(methylthio)benzimidazol-1-yl]ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C23H26N4O7S2 MolecularWeight: 534.60514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=C1SC)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC(CN1C2=CC=CC=C2N=C1SC)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H26N4O7S2/c1-14(12-27-19-7-5-4-6-18(19)25-23(27)35-3)34-20-10-16(24-15(2)29)8-9-21(20)36(32,33)26-17(13-28)11-22(30)31/h4-10,13-14,17,26H,11-12H2,1-3H3,(H,24,29)(H,30,31)