(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C18H18N4O6S2/c1-12(23)20-13-4-6-14(7-5-13)30(25,26)19-9-8-17(24)27-11-16-21-18(22-28-16)15-3-2-10-29-15/h2-7,10,19H,8-9,11H2,1H3,(H,20,23)