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

Systemtic Name: ethyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(2-bromophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2-bromophenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-bromophenyl)-3-(1,1-dioxo-3-thiolanyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-bromophenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-bromophenyl)-3-(1,1-diketothiolan-3-yl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Br)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Br)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H21BrN2O5S/c1-3-26-17(22)15-11(2)21(12-8-9-27(24,25)10-12)18(23)20-16(15)13-6-4-5-7-14(13)19/h4-7,12,16H,3,8-10H2,1-2H3,(H,20,23)