ethyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(1,1-dioxo-3-thiolanyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(1,1-diketothiolan-3-yl)-2-keto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H22N2O5S/c1-3-25-17(21)15-12(2)20(14-9-10-26(23,24)11-14)18(22)19-16(15)13-7-5-4-6-8-13/h4-8,14,16H,3,9-11H2,1-2H3,(H,19,22)