(2R,3S)-4-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-yl-morpholine-2-carboxylate

Systemtic Name: (2R,3S)-4-[2-(dimethylazaniumyl)ethyl]-5-oxidanylidene-3-thiophen-2-yl-morpholine-2-carboxylate Openeye Name: (2R,3S)-4-[2-(dimethylammonio)ethyl]-5-oxo-3-(2-thienyl)morpholine-2-carboxylate CAS Name: (2R,3S)-4-[2-(dimethylammonio)ethyl]-5-oxo-3-thiophen-2-yl-2-morpholinecarboxylate IUPAC Name: (2R,3S)-4-[2-(dimethylazaniumyl)ethyl]-5-oxo-3-thiophen-2-ylmorpholine-2-carboxylate Traditional Name: (2R,3S)-4-[2-(dimethylammonio)ethyl]-5-keto-3-(2-thienyl)morpholine-2-carboxylate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(OCC1=O)C(=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)CCN1[C@@H]([C@@H](OCC1=O)C(=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H18N2O4S/c1-14(2)5-6-15-10(16)8-19-12(13(17)18)11(15)9-4-3-7-20-9/h3-4,7,11-12H,5-6,8H2,1-2H3,(H,17,18)/t11-,12-/m1/s1