methyl 5-cyano-6-oxidanylidene-4-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-[(E)-2-oxo-4-phenyl-but-3-enyl]-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-[(E)-2-oxo-4-phenylbut-3-enyl]-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-[(E)-2-oxo-4-phenylbut-3-enyl]-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[(E)-2-keto-4-phenyl-but-3-enyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-24-15(23)17(13(10-18)14(22)19-16(25)20-17)9-12(21)8-7-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H2,19,20,22,25)/b8-7+