methyl (2S)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C19H25N3O3S/c1-13-16(14(2)22(21-13)15-8-6-5-7-9-15)12-18(23)20-17(10-11-26-4)19(24)25-3/h5-9,17H,10-12H2,1-4H3,(H,20,23)/t17-/m0/s1