(1-phenylpyrazol-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-29-13-12-20(24-21(26)18-8-4-2-5-9-18)22(27)28-16-17-14-23-25(15-17)19-10-6-3-7-11-19/h2-11,14-15,20H,12-13,16H2,1H3,(H,24,26)/t20-/m0/s1