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

Systemtic Name: methyl 3-[(2S)-2-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]propanoate Openeye Name: methyl 3-[(2S)-2-hydroxy-3-oxo-4H-1,4-benzothiazin-2-yl]propanoate CAS Name: 3-[(2S)-2-hydroxy-3-oxo-4H-1,4-benzothiazin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxy-3-oxo-4H-1,4-benzothiazin-2-yl]propanoate Traditional Name: 3-[(2S)-2-hydroxy-3-keto-4H-1,4-benzothiazin-2-yl]propionic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(C(=O)NC2=CC=CC=C2S1)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-17-10(14)6-7-12(16)11(15)13-8-4-2-3-5-9(8)18-12/h2-5,16H,6-7H2,1H3,(H,13,15)/t12-/m0/s1