2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]thio]propionic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC(C)C(=O)O

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC(C)C(=O)O

InChI

InChI=1S/C11H17N3O3S/c1-7(2)14-9(4-5-12-14)13-10(15)6-18-8(3)11(16)17/h4-5,7-8H,6H2,1-3H3,(H,13,15)(H,16,17)