ethyl (2S,4S)-5-oxidanylidene-2-sulfanyl-1,3-diazinan-1-ium-4-carboxylate

Systemtic Name: ethyl (2S,4S)-5-oxidanylidene-2-sulfanyl-1,3-diazinan-1-ium-4-carboxylate Openeye Name: ethyl (2S,4S)-5-oxo-2-sulfanyl-hexahydropyrimidin-1-ium-4-carboxylate CAS Name: (2S,4S)-2-mercapto-5-oxo-1,3-diazinan-1-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S)-5-oxo-2-sulfanyl-1,3-diazinan-1-ium-4-carboxylate Traditional Name: (2S,4S)-5-keto-2-mercapto-hexahydropyrimidin-1-ium-4-carboxylic acid ethyl ester Formula: C7H13N2O3S+ MolecularWeight: 205.25472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)C[NH2+]C(N1)S

Isomeric SMILES

CCOC(=O)[C@@H]1C(=O)C[NH2+][C@H](N1)S

InChI

InChI=1S/C7H12N2O3S/c1-2-12-6(11)5-4(10)3-8-7(13)9-5/h5,7-9,13H,2-3H2,1H3/p+1/t5-,7+/m0/s1