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

Systemtic Name: ethyl (5S,6R)-4-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5S,6R)-4-[(3-chloro-4-fluoro-phenyl)sulfonylmethylene]-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-[(3-chloro-4-fluorophenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5S,6R)-4-[(3-chloro-4-fluorophenyl)sulfonylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-4-[(3-chloro-4-fluoro-phenyl)sulfonylmethylene]-2-keto-6-phenyl-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClFN2O5S MolecularWeight: 452.883723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](NC(=O)NC1=CS(=O)(=O)C2=CC(=C(C=C2)F)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClFN2O5S/c1-2-29-19(25)17-16(11-30(27,28)13-8-9-15(22)14(21)10-13)23-20(26)24-18(17)12-6-4-3-5-7-12/h3-11,17-18H,2H2,1H3,(H2,23,24,26)/t17-,18+/m1/s1