methyl (4S)-4-(2-chlorophenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2-chlorophenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H21ClN3O3S+ MolecularWeight: 382.88494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2Cl)C[NH+]3CCSCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2Cl)C[NH+]3CCSCC3

InChI

InChI=1S/C17H20ClN3O3S/c1-24-16(22)14-13(10-21-6-8-25-9-7-21)19-17(23)20-15(14)11-4-2-3-5-12(11)18/h2-5,15H,6-10H2,1H3,(H2,19,20,23)/p+1/t15-/m1/s1