methyl (2R)-4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(2-keto-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C14H17N2O4S+ MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CN2C3=CC=CC=C3OC2=O

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H16N2O4S/c1-19-13(17)12-8-15(6-7-21-12)9-16-10-4-2-3-5-11(10)20-14(16)18/h2-5,12H,6-9H2,1H3/p+1/t12-/m1/s1