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

Systemtic Name: ethyl (4R,5R,6S)-6-(4-methoxyphenyl)-3-methyl-4-oxidanyl-5-(phenylcarbonyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: ethyl (4R,5R,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-3-methyl-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: (4R,5R,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-3-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-3-methyl-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: (4R,5R,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-3-methyl-2-thioxo-hexahydropyrimidine-4-carboxylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-4-29-20(26)22(27)17(19(25)15-8-6-5-7-9-15)18(23-21(30)24(22)2)14-10-12-16(28-3)13-11-14/h5-13,17-18,27H,4H2,1-3H3,(H,23,30)/t17-,18+,22+/m0/s1