[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C14H16N4O4S/c1-18-8-10(7-16-18)13(20)22-9-12(19)17-14(21)15-5-4-11-3-2-6-23-11/h2-3,6-8H,4-5,9H2,1H3,(H2,15,17,19,21)