2-[2-[[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]ethanoic acid

Systemtic Name: 2-[2-[[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]ethanoic acid Openeye Name: 2-[2-[[4-(5-methyl-4-phenyl-isoxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]acetic acid CAS Name: 2-[2-[[[4-(5-methyl-4-phenyl-3-isoxazolyl)phenyl]sulfonylamino]-oxomethoxy]ethyldisulfanyl]acetic acid IUPAC Name: 2-[2-[[4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]acetic acid Traditional Name: 2-[2-[[4-(5-methyl-4-phenyl-isoxazol-3-yl)phenyl]sulfonylcarbamoyloxy]ethyldisulfanyl]acetic acid Formula: C21H20N2O7S3 MolecularWeight: 508.5877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCSSCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCSSCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O7S3/c1-14-19(15-5-3-2-4-6-15)20(22-30-14)16-7-9-17(10-8-16)33(27,28)23-21(26)29-11-12-31-32-13-18(24)25/h2-10H,11-13H2,1H3,(H,23,26)(H,24,25)