dimethyl 3-[4-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3-acetylsulfanyl-2-methyl-propanoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(acetylthio)-2-methyl-1-oxopropyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3-acetylsulfanyl-2-methylpropanoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[3-(acetylthio)-2-methyl-propanoyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C16H23N3O6S/c1-10(9-26-11(2)20)16(23)18-12-7-17-19(8-12)13(5-14(21)24-3)6-15(22)25-4/h7-8,10,13H,5-6,9H2,1-4H3,(H,18,23)