ethyl 2-chloranyl-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-5-carboxylate CAS Name: 2-chloro-4-(4-oxido-4-thiomorpholin-4-iumyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-5-carboxylate Traditional Name: 2-chloro-4-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C11H14ClN3O3S MolecularWeight: 303.76516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1[N+]2(CCSCC2)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1[N+]2(CCSCC2)[O-])Cl

InChI

InChI=1S/C11H14ClN3O3S/c1-2-18-10(16)8-7-13-11(12)14-9(8)15(17)3-5-19-6-4-15/h7H,2-6H2,1H3