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

Systemtic Name: methyl 5-cyano-4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-4-[2-(4-methoxyphenyl)-2-oxo-ethyl]-6-oxo-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(4-methoxyphenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(4-methoxyphenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(4-methoxyphenyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

InChI

InChI=1S/C16H15N3O5S/c1-23-10-5-3-9(4-6-10)12(20)7-16(14(22)24-2)11(8-17)13(21)18-15(25)19-16/h3-6,11H,7H2,1-2H3,(H2,18,19,21,25)