ethyl (4R)-4-(4-methylphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(4-methylphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-2-oxo-4-(p-tolyl)-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-methylphenyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-methylphenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-(p-tolyl)-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)C[NH+]3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(C=C2)C)C[NH+]3CCSCC3

InChI

InChI=1S/C19H25N3O3S/c1-3-25-18(23)16-15(12-22-8-10-26-11-9-22)20-19(24)21-17(16)14-6-4-13(2)5-7-14/h4-7,17H,3,8-12H2,1-2H3,(H2,20,21,24)/p+1/t17-/m1/s1