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

Systemtic Name: 3-methyl-2-[[5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[5-(3-phenylisoxazol-5-yl)-2-thienyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[5-(3-phenyl-5-isoxazolyl)-2-thiophenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[5-(3-phenyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[5-(3-phenylisoxazol-5-yl)-2-thienyl]sulfonylamino]butyric acid Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(S1)C2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(S1)C2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5S2/c1-11(2)17(18(21)22)20-27(23,24)16-9-8-15(26-16)14-10-13(19-25-14)12-6-4-3-5-7-12/h3-11,17,20H,1-2H3,(H,21,22)