ethyl (4R,5R,6S)-3-methyl-4-oxidanyl-6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: ethyl (4R,5R,6S)-3-methyl-4-oxidanyl-6-phenyl-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: ethyl (4R,5R,6S)-5-benzoyl-4-hydroxy-3-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: (4R,5R,6S)-5-benzoyl-4-hydroxy-3-methyl-6-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R,6S)-5-benzoyl-4-hydroxy-3-methyl-6-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: (4R,5R,6S)-5-benzoyl-4-hydroxy-3-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]([C@H](NC(=S)N1C)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O4S/c1-3-27-19(25)21(26)16(18(24)15-12-8-5-9-13-15)17(22-20(28)23(21)2)14-10-6-4-7-11-14/h4-13,16-17,26H,3H2,1-2H3,(H,22,28)/t16-,17+,21+/m0/s1