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

Systemtic Name: methyl (2R)-2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H](CCSC)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-12-17(23(26)27)13(2)22(21-12)11-14-5-7-15(8-6-14)18(24)20-16(9-10-29-4)19(25)28-3/h5-8,16H,9-11H2,1-4H3,(H,20,24)/t16-/m1/s1