[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(N-(1,1-dioxo-3-thiolanyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(N-(1,1-diketothiolan-3-yl)anilino)-2-keto-ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O5S/c1-19-10-13(9-18-19)17(22)25-11-16(21)20(14-5-3-2-4-6-14)15-7-8-26(23,24)12-15/h2-6,9-10,15H,7-8,11-12H2,1H3