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

Systemtic Name: methyl 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(3-bromophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-bromophenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromophenyl)-3-(1,1-dioxo-3-thiolanyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-bromophenyl)-3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromophenyl)-3-(1,1-diketothiolan-3-yl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2CCS(=O)(=O)C2)C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C2CCS(=O)(=O)C2)C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C17H19BrN2O5S/c1-10-14(16(21)25-2)15(11-4-3-5-12(18)8-11)19-17(22)20(10)13-6-7-26(23,24)9-13/h3-5,8,13,15H,6-7,9H2,1-2H3,(H,19,22)