[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 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-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-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)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-11(2)16(18(25)21-19(20)26)27-15(24)10-28-17-12(3)22-23(13(17)4)14-8-6-5-7-9-14/h5-9,11,16H,10H2,1-4H3,(H3,20,21,25,26)/t16-/m1/s1