[4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[1-oxo-2-(phenylmethylthio)propyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-(benzylthio)propanoylamino]pyrazol-1-yl]methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)COC(=O)C(C)(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)COC(=O)C(C)(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O3S/c1-14(26-12-15-8-6-5-7-9-15)17(23)21-16-10-20-22(11-16)13-25-18(24)19(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,21,23)