ethyl 1-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(1,1-dioxothiolan-3-yl)-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[(1,1-dioxo-3-thiolanyl)-methylamino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(1,1-diketothiolan-3-yl)-methyl-carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(C)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C19H23N3O5S/c1-4-27-19(24)17-11-20-22(13(17)2)15-7-5-14(6-8-15)18(23)21(3)16-9-10-28(25,26)12-16/h5-8,11,16H,4,9-10,12H2,1-3H3