dimethyl 3-[4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-2-(phenylmethylthio)propyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[2-(benzylthio)propanoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-14(29-13-15-7-5-4-6-8-15)20(26)22-16-11-21-23(12-16)17(9-18(24)27-2)10-19(25)28-3/h4-8,11-12,14,17H,9-10,13H2,1-3H3,(H,22,26)