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

Systemtic Name: ethyl 4-cyclohexylsulfanyl-5-fluoranyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-cyclohexylsulfanyl-5-fluoro-2,6-dioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(cyclohexylthio)-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclohexylsulfanyl-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(cyclohexylthio)-5-fluoro-2,6-diketo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H19FN2O4S MolecularWeight: 318.364363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(NC(=O)NC1=O)SC2CCCCC2)F

Isomeric SMILES

CCOC(=O)C1(C(NC(=O)NC1=O)SC2CCCCC2)F

InChI

InChI=1S/C13H19FN2O4S/c1-2-20-11(18)13(14)9(17)15-12(19)16-10(13)21-8-6-4-3-5-7-8/h8,10H,2-7H2,1H3,(H2,15,16,17,19)