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

Systemtic Name: methyl 5-cyano-4-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(3,4-dichlorophenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-4-[2-(3,4-dichlorophenyl)-2-keto-ethyl]-6-keto-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C15H11Cl2N3O4S MolecularWeight: 400.23654

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H11Cl2N3O4S/c1-24-13(23)15(8(6-18)12(22)19-14(25)20-15)5-11(21)7-2-3-9(16)10(17)4-7/h2-4,8H,5H2,1H3,(H2,19,20,22,25)