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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-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-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H20N4O4S/c25-18(23-20(27)21-9-8-17-7-4-10-29-17)14-28-19(26)16-11-22-24(13-16)12-15-5-2-1-3-6-15/h1-7,10-11,13H,8-9,12,14H2,(H2,21,23,25,27)