2-[3-(carboxymethyl)-2-oxidanylidene-4H-1,4-benzothiazin-3-yl]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-2-oxidanylidene-4H-1,4-benzothiazin-3-yl]ethanoic acid Openeye Name: 2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid CAS Name: 2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid IUPAC Name: 2-[3-(carboxymethyl)-2-oxo-4H-1,4-benzothiazin-3-yl]acetic acid Traditional Name: 2-[3-(carboxymethyl)-2-keto-4H-1,4-benzothiazin-3-yl]acetic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H11NO5S/c14-9(15)5-12(6-10(16)17)11(18)19-8-4-2-1-3-7(8)13-12/h1-4,13H,5-6H2,(H,14,15)(H,16,17)