ethyl 4-(3-bromophenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-2-oxidanylidene-6-(phenylsulfonylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzenesulfonylmethyl)-4-(3-bromophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(benzenesulfonylmethyl)-4-(3-bromophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonylmethyl)-4-(3-bromophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(besylmethyl)-4-(3-bromophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)Br)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)Br)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O5S/c1-2-28-19(24)17-16(12-29(26,27)15-9-4-3-5-10-15)22-20(25)23-18(17)13-7-6-8-14(21)11-13/h3-11,18H,2,12H2,1H3,(H2,22,23,25)