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

Systemtic Name: methyl (4R,5S)-4-(5-bromanyl-2-phenylmethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(2-benzyloxy-5-bromo-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(5-bromo-2-phenylmethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(5-bromo-2-phenylmethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2-benzoxy-5-bromo-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O3S/c1-12-17(19(24)25-2)18(23-20(27)22-12)15-10-14(21)8-9-16(15)26-11-13-6-4-3-5-7-13/h3-10,17-18H,1,11H2,2H3,(H2,22,23,27)/t17-,18+/m1/s1