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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2C(C(=C)NC(=S)N2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O3S/c1-7-11(13(18)20-3)12(17-14(21)16-7)9-6-8(19-2)4-5-10(9)15/h4-6,11-12H,1H2,2-3H3,(H2,16,17,21)/t11-,12+/m1/s1