methyl (2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoate

Systemtic Name: methyl (2S)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoate Openeye Name: methyl (2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoate CAS Name: (2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]propanoate Traditional Name: (2S)-2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]propionic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC2=CC=CC=C2S1)C(=O)OC

Isomeric SMILES

C[C@H]([C@@H]1C(=O)NC2=CC=CC=C2S1)C(=O)OC

InChI

InChI=1S/C12H13NO3S/c1-7(12(15)16-2)10-11(14)13-8-5-3-4-6-9(8)17-10/h3-7,10H,1-2H3,(H,13,14)/t7-,10-/m1/s1