tert-butyl (4R,5S)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: tert-butyl (4R,5S)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (4R,5S)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5S)-4-(3-bromo-4,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3-bromo-4,5-dimethoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H23BrN2O4S MolecularWeight: 443.35522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4S/c1-9-13(16(22)25-18(2,3)4)14(21-17(26)20-9)10-7-11(19)15(24-6)12(8-10)23-5/h7-8,13-14H,1H2,2-6H3,(H2,20,21,26)/t13-,14+/m1/s1