N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-ethoxyphenyl)methyl]-2-ethylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-ethoxyphenyl)methyl]-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(1,1-diketothiolan-3-yl)-2-esyl-N-(4-ethoxybenzyl)pyrimidine-4-carboxamide Formula: C20H24ClN3O6S2 MolecularWeight: 502.00406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

InChI

InChI=1S/C20H24ClN3O6S2/c1-3-30-16-7-5-14(6-8-16)12-24(15-9-10-31(26,27)13-15)19(25)18-17(21)11-22-20(23-18)32(28,29)4-2/h5-8,11,15H,3-4,9-10,12-13H2,1-2H3