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

Systemtic Name: tert-butyl (4R,5S)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: tert-butyl (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-9-13(15(21)23-17(2,3)4)14(19-16(24)18-9)10-6-7-11(20)12(8-10)22-5/h6-8,13-14,20H,1H2,2-5H3,(H2,18,19,24)/t13-,14+/m1/s1