methyl 5-cyano-4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(4-fluorophenyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(4-fluorophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(4-fluorophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-[2-(4-fluorophenyl)-2-keto-ethyl]-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H12FN3O4S MolecularWeight: 349.336883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H12FN3O4S/c1-23-13(22)15(10(7-17)12(21)18-14(24)19-15)6-11(20)8-2-4-9(16)5-3-8/h2-5,10H,6H2,1H3,(H2,18,19,21,24)