ethyl (4S,5R)-4-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC(=C(C=C2Br)O)OC

InChI

InChI=1S/C15H17BrN2O4S/c1-4-22-14(20)12-7(2)17-15(23)18-13(12)8-5-11(21-3)10(19)6-9(8)16/h5-6,12-13,19H,2,4H2,1,3H3,(H2,17,18,23)/t12-,13+/m0/s1