[2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)anilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(N-(1,1-diketo-2,3-dihydrothiophen-3-yl)anilino)-2-keto-ethyl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)N(C3CS(=O)(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S/c1-17-21(14-24-26(17)19-10-6-3-7-11-19)23(28)31-15-22(27)25(18-8-4-2-5-9-18)20-12-13-32(29,30)16-20/h2-14,20H,15-16H2,1H3