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

Systemtic Name: 3-[[4-acetamido-2-[1-(2-ethylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(2-ethylsulfanylbenzimidazol-1-yl)-1-methyl-ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[1-[2-(ethylthio)-1-benzimidazolyl]propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[1-(2-ethylsulfanylbenzimidazol-1-yl)propan-2-yloxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-[2-(ethylthio)benzimidazol-1-yl]-1-methyl-ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C24H28N4O7S2 MolecularWeight: 548.63172

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1CC(C)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1CC(C)OC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C24H28N4O7S2/c1-4-36-24-26-19-7-5-6-8-20(19)28(24)13-15(2)35-21-11-17(25-16(3)30)9-10-22(21)37(33,34)27-18(14-29)12-23(31)32/h5-11,14-15,18,27H,4,12-13H2,1-3H3,(H,25,30)(H,31,32)