ethyl 4-(2,5-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(2,5-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2,5-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,5-dimethylphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C16H20N2O2S/c1-5-20-15(19)13-11(4)17-16(21)18-14(13)12-8-9(2)6-7-10(12)3/h6-8,13-14H,4-5H2,1-3H3,(H2,17,18,21)