ethyl (6S)-3-ethyl-2-oxidanylidene-6-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-2-oxidanylidene-6-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-2-oxo-6-phenyl-4-(4-thiomorpholin-4-iumylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-2-oxo-6-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-2-keto-6-phenyl-4-(thiomorpholin-4-ium-4-ylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCSCC3

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCSCC3

InChI

InChI=1S/C20H27N3O3S/c1-3-23-16(14-22-10-12-27-13-11-22)17(19(24)26-4-2)18(21-20(23)25)15-8-6-5-7-9-15/h5-9,18H,3-4,10-14H2,1-2H3,(H,21,25)/p+1/t18-/m0/s1