[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H18N4O4S/c1-13-8-9-21-23(13)15-6-4-14(5-7-15)18(25)27-12-17(24)22-19(26)20-11-16-3-2-10-28-16/h2-10H,11-12H2,1H3,(H2,20,22,24,26)