ethyl (4E,5R,6S)-4-[(4-bromophenyl)sulfonylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5R,6S)-4-[(4-bromophenyl)sulfonylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5R,6S)-4-[(4-bromophenyl)sulfonylmethylene]-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5R,6S)-4-[(4-bromophenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5R,6S)-4-[(4-bromophenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5R,6S)-4-(brosylmethylene)-2-keto-6-phenyl-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]\1[C@H](NC(=O)N/C1=C/S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O5S/c1-2-28-19(24)17-16(12-29(26,27)15-10-8-14(21)9-11-15)22-20(25)23-18(17)13-6-4-3-5-7-13/h3-12,17-18H,2H2,1H3,(H2,22,23,25)/b16-12+/t17-,18+/m0/s1