[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CNC(=O)CNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3

InChI

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