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

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-2-25-17(23)15-14(11-22-7-9-26-10-8-22)20-18(24)21-16(15)12-3-5-13(19)6-4-12/h3-6,16H,2,7-11H2,1H3,(H2,20,21,24)/p+1/t16-/m0/s1