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

Systemtic Name: methyl 4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-5-cyano-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 4-[2-(4-chlorophenyl)-2-oxo-ethyl]-5-cyano-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-2-oxoethyl]-5-cyano-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-chlorophenyl)-2-oxoethyl]-5-cyano-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-ethyl]-5-cyano-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H12ClN3O4S MolecularWeight: 365.79148

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O4S/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)