3-[6-(7-methyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methylsulfonyl-pyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-(7-methyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-4-methylsulfonyl-pyridin-2-yl]propanoic acid Openeye Name: 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonyl-2-pyridyl]propanoic acid CAS Name: 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonyl-2-pyridinyl]propanoic acid IUPAC Name: 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)-4-methylsulfonylpyridin-2-yl]propanoic acid Traditional Name: 3-[6-(4-keto-7-methyl-1,3-benzothiazin-2-yl)-4-mesyl-2-pyridyl]propionic acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N=C(S2)C3=NC(=CC(=C3)S(=O)(=O)C)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N=C(S2)C3=NC(=CC(=C3)S(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C18H16N2O5S2/c1-10-3-5-13-15(7-10)26-18(20-17(13)23)14-9-12(27(2,24)25)8-11(19-14)4-6-16(21)22/h3,5,7-9H,4,6H2,1-2H3,(H,21,22)