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

Systemtic Name: prop-2-enyl (4R,5S)-4-(5-bromanyl-2-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: allyl (4R,5S)-4-(5-bromo-2-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(5-bromo-2-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S)-4-(5-bromo-2-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(5-bromo-2-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid allyl ester Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S/c1-4-7-22-15(20)13-9(2)18-16(23)19-14(13)11-8-10(17)5-6-12(11)21-3/h4-6,8,13-14H,1-2,7H2,3H3,(H2,18,19,23)/t13-,14+/m1/s1