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

Systemtic Name: 3-methyl-2-[[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N2)C3=CSC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3=CSC=C3

InChI

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