methyl (2R)-2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC(CCSC)C(=O)OC)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)N[C@H](CCSC)C(=O)OC)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H22ClN3O3S/c1-12-15(17(23)20-14(9-10-26-3)18(24)25-2)16(19)22(21-12)11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,20,23)/t14-/m1/s1