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

Systemtic Name: methyl 4-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-5-cyano-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 4-[2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-5-cyano-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-5-cyano-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-5-cyano-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-5-cyano-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)C2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

InChI

InChI=1S/C16H14ClN3O4S/c1-8(12(21)9-3-5-10(17)6-4-9)16(14(23)24-2)11(7-18)13(22)19-15(25)20-16/h3-6,8,11H,1-2H3,(H2,19,20,22,25)