ethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2-bromo-4,5-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C16H19BrN2O4S/c1-5-23-15(20)13-8(2)18-16(24)19-14(13)9-6-11(21-3)12(22-4)7-10(9)17/h6-7,13-14H,2,5H2,1,3-4H3,(H2,18,19,24)