[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C20H26N4O4S/c1-12(2)21-20(27)22-19(26)15(5)28-17(25)11-29-18-13(3)23-24(14(18)4)16-9-7-6-8-10-16/h6-10,12,15H,11H2,1-5H3,(H2,21,22,26,27)/t15-/m1/s1