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

Systemtic Name: ethyl (4S,5R)-4-(3-bromanyl-4-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(3-bromo-4-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-bromo-4-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(3-bromo-4-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-bromo-4-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-4-21-14(19)12-8(2)17-15(22)18-13(12)9-5-6-11(20-3)10(16)7-9/h5-7,12-13H,2,4H2,1,3H3,(H2,17,18,22)/t12-,13+/m0/s1