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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [(1R)-2-(allylamino)-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-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)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-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-5-11-20-19(24)15(4)25-17(23)12-26-18-13(2)21-22(14(18)3)16-9-7-6-8-10-16/h5-10,15H,1,11-12H2,2-4H3,(H,20,24)/t15-/m1/s1