dimethyl 3-[4-[(2-thiophen-2-ylcarbonylcyclohexyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-thiophen-2-ylcarbonylcyclohexyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[2-(thiophene-2-carbonyl)cyclohexanecarbonyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[2-[oxo(thiophen-2-yl)methyl]cyclohexyl]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[2-(thiophene-2-carbonyl)cyclohexanecarbonyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[2-(2-thenoyl)cyclohexanecarbonyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2CCCCC2C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2CCCCC2C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O6S/c1-30-19(26)10-15(11-20(27)31-2)25-13-14(12-23-25)24-22(29)17-7-4-3-6-16(17)21(28)18-8-5-9-32-18/h5,8-9,12-13,15-17H,3-4,6-7,10-11H2,1-2H3,(H,24,29)