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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-28-21(27)18(10-12-29-2)23-20(26)17-14-25(16-8-4-3-5-9-16)24-19(17)15-7-6-11-22-13-15/h3-9,11,13-14,18H,10,12H2,1-2H3,(H,23,26)/t18-/m0/s1