4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[(1,3,5-trimethyl-4-pyrazolyl)sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butyric acid Formula: C11H19N3O4S2 MolecularWeight: 321.41626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C11H19N3O4S2/c1-7-10(8(2)14(3)12-7)20(17,18)13-9(11(15)16)5-6-19-4/h9,13H,5-6H2,1-4H3,(H,15,16)