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

Systemtic Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)C[NH+]4CCSCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC3=C(C=C2)OCO3)C[NH+]4CCSCC4

InChI

InChI=1S/C19H23N3O5S/c1-2-25-18(23)16-13(10-22-5-7-28-8-6-22)20-19(24)21-17(16)12-3-4-14-15(9-12)27-11-26-14/h3-4,9,17H,2,5-8,10-11H2,1H3,(H2,20,21,24)/p+1/t17-/m0/s1