methyl 5-cyano-6-oxidanylidene-4-phenacyl-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-phenacyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-phenacyl-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-phenacyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-phenacyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-phenacyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-22-13(21)15(7-11(19)9-5-3-2-4-6-9)10(8-16)12(20)17-14(23)18-15/h2-6,10H,7H2,1H3,(H2,17,18,20,23)