methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-24-17(23)15(7-8-25-2)20-16(22)13-9-19-21(11-13)10-12-5-3-4-6-14(12)18/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,22)/t15-/m0/s1