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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-23-17(22)15(8-9-24-2)19-16(21)14-10-18-20(12-14)11-13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,21)/t15-/m0/s1