ethyl 4-[2,3-bis(bromanyl)-4-ethoxy-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[2,3-bis(bromanyl)-4-ethoxy-5-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(2,3-dibromo-4-ethoxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(2,3-dibromo-4-ethoxy-5-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dibromo-4-ethoxy-5-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(2,3-dibromo-4-ethoxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20Br2N2O4S MolecularWeight: 508.2247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1Br)Br)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1Br)Br)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

InChI

InChI=1S/C17H20Br2N2O4S/c1-5-24-15-10(23-4)7-9(12(18)13(15)19)14-11(16(22)25-6-2)8(3)20-17(26)21-14/h7,11,14H,3,5-6H2,1-2,4H3,(H2,20,21,26)