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

Systemtic Name: dimethyl 3-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[2-(2-thienyl)ethylcarbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H22N4O5S/c1-25-15(22)8-13(9-16(23)26-2)21-11-12(10-19-21)20-17(24)18-6-5-14-4-3-7-27-14/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,18,20,24)