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

Systemtic Name: ethyl (4S,5S,6S)-4-methyl-4-oxidanyl-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6S)-4-hydroxy-4-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6S)-4-hydroxy-4-methyl-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6S)-4-hydroxy-4-methyl-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6S)-4-hydroxy-4-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1(C)O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-19-12(17)10-11(9-7-5-4-6-8-9)15-13(20)16-14(10,2)18/h4-8,10-11,18H,3H2,1-2H3,(H2,15,16,20)/t10-,11-,14+/m1/s1