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

Systemtic Name: ethyl (4S,5R)-4-[5-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-[5-bromo-2-(2-ethoxy-2-oxo-ethoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-[5-bromo-2-(2-ethoxy-2-oxoethoxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[5-bromo-2-(2-ethoxy-2-keto-ethoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)C2C(C(=C)NC(=S)N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC

InChI

InChI=1S/C18H21BrN2O5S/c1-4-24-14(22)9-26-13-7-6-11(19)8-12(13)16-15(17(23)25-5-2)10(3)20-18(27)21-16/h6-8,15-16H,3-5,9H2,1-2H3,(H2,20,21,27)/t15-,16+/m0/s1