3-methyl-2-[[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylamino]butyric acid Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C17H17N3O5S2/c1-10(2)14(17(21)22)20-27(23,24)12-7-5-11(6-8-12)16-18-15(19-25-16)13-4-3-9-26-13/h3-10,14,20H,1-2H3,(H,21,22)