ethyl 5-fluoranyl-2,4-bis(oxidanylidene)-6-(phenylmethylsulfanyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 5-fluoranyl-2,4-bis(oxidanylidene)-6-(phenylmethylsulfanyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-benzylsulfanyl-5-fluoro-2,6-dioxo-hexahydropyrimidine-5-carboxylate CAS Name: 5-fluoro-2,4-dioxo-6-(phenylmethylthio)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(benzylthio)-5-fluoro-2,6-diketo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15FN2O4S MolecularWeight: 326.343303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(NC(=O)NC1=O)SCC2=CC=CC=C2)F

Isomeric SMILES

CCOC(=O)C1(C(NC(=O)NC1=O)SCC2=CC=CC=C2)F

InChI

InChI=1S/C14H15FN2O4S/c1-2-21-12(19)14(15)10(18)16-13(20)17-11(14)22-8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,16,17,18,20)