[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H24N2O5S/c1-14-11-18(15(2)22(14)16-7-5-4-6-8-16)20(24)27-12-19(23)21(3)17-9-10-28(25,26)13-17/h4-8,11,17H,9-10,12-13H2,1-3H3