[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H18N4O4S/c24-17(22-19(26)20-11-16-3-1-10-28-16)13-27-18(25)15-6-4-14(5-7-15)12-23-9-2-8-21-23/h1-10H,11-13H2,(H2,20,22,24,26)