methyl (2S)-4-methylsulfanyl-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-3-phenylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-29-23(28)20(13-14-30-2)24-22(27)19-16-26(15-17-9-5-3-6-10-17)25-21(19)18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3,(H,24,27)/t20-/m0/s1