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

Systemtic Name: methyl (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-12-16(13(2)21(20-12)14-8-6-5-7-9-14)17(22)19-15(10-11-25-4)18(23)24-3/h5-9,15H,10-11H2,1-4H3,(H,19,22)/t15-/m1/s1