3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoic acid

Systemtic Name: 3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoic acid Openeye Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoic acid CAS Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoic acid Traditional Name: 3-[(3-keto-2-methyl-4H-1,4-benzothiazin-6-yl)sulfonyl]propionic acid Formula: C12H13NO5S2 MolecularWeight: 315.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H13NO5S2/c1-7-12(16)13-9-6-8(2-3-10(9)19-7)20(17,18)5-4-11(14)15/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,15)