ethyl (4E,5R,6R)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5R,6R)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxidanylidene-6-phenyl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5R,6R)-4-[(4-fluorophenyl)sulfanylmethylene]-2-oxo-6-phenyl-hexahydropyrimidine-5-carboxylate CAS Name: (4E,5R,6R)-4-[[(4-fluorophenyl)thio]methylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5R,6R)-4-[(4-fluorophenyl)sulfanylmethylidene]-2-oxo-6-phenyl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5R,6R)-4-[[(4-fluorophenyl)thio]methylene]-2-keto-6-phenyl-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CSC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]\1[C@@H](NC(=O)N/C1=C/SC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H19FN2O3S/c1-2-26-19(24)17-16(12-27-15-10-8-14(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