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

Systemtic Name: methyl 5-cyano-4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-[2-oxo-2-(p-tolyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-4-[2-(4-methylphenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-[2-(4-methylphenyl)-2-oxoethyl]-6-oxo-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(p-tolyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2(C(C(=O)NC(=S)N2)C#N)C(=O)OC

InChI

InChI=1S/C16H15N3O4S/c1-9-3-5-10(6-4-9)12(20)7-16(14(22)23-2)11(8-17)13(21)18-15(24)19-16/h3-6,11H,7H2,1-2H3,(H2,18,19,21,24)