diethyl 1-methyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate

Systemtic Name: diethyl 1-methyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Openeye Name: diethyl 1-methyl-3-phenyl-4-thioxo-hexahydropyrimidine-5,5-dicarboxylate CAS Name: 1-methyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-methyl-3-phenyl-4-sulfanylidene-1,3-diazinane-5,5-dicarboxylate Traditional Name: 1-methyl-3-phenyl-4-thioxo-hexahydropyrimidine-5,5-dicarboxylic acid diethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CN(CN(C1=S)C2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C17H22N2O4S/c1-4-22-15(20)17(16(21)23-5-2)11-18(3)12-19(14(17)24)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3