methyl (2S)-4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2S)-4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2S)-4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2S)-4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2S)-4-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C13H16N3O3S2+ MolecularWeight: 326.41444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

COC(=O)[C@@H]1C[NH+](CCS1)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C13H15N3O3S2/c1-19-13(18)9-6-16(3-5-20-9)7-10-14-8-2-4-21-11(8)12(17)15-10/h2,4,9H,3,5-7H2,1H3,(H,14,15,17)/p+1/t9-/m0/s1