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

Systemtic Name: ethyl (4S,5R)-4-(5-bromanyl-2-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(5-bromo-2-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(5-bromo-2-hydroxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(5-bromo-2-hydroxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(5-bromo-2-hydroxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-3-20-13(19)11-7(2)16-14(21)17-12(11)9-6-8(15)4-5-10(9)18/h4-6,11-12,18H,2-3H2,1H3,(H2,16,17,21)/t11-,12+/m0/s1