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

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-1,2-diphenyl-ethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-(2-oxo-1,2-diphenyl-ethyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxo-1,2-diphenylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxo-1,2-diphenylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-desyl-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-28-19(27)21(15(12-22)18(26)23-20(29)24-21)16(13-8-4-2-5-9-13)17(25)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H2,23,24,26,29)