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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenylpyrazol-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenylpyrazole-4-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(1-phenyl-4-pyrazolyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenylpyrazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(1-phenylpyrazole-4-carbonyl)amino]butyric acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-22-16(21)14(8-9-23-2)18-15(20)12-10-17-19(11-12)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1