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

Systemtic Name: 3-[4-methylsulfonyl-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoic acid Openeye Name: 3-[4-methylsulfonyl-6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoic acid CAS Name: 3-[4-methylsulfonyl-6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propanoic acid IUPAC Name: 3-[4-methylsulfonyl-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoic acid Traditional Name: 3-[6-(4-keto-1,3-benzothiazin-2-yl)-4-mesyl-2-pyridyl]propionic acid Formula: C17H14N2O5S2 MolecularWeight: 390.43346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=NC(=C1)CCC(=O)O)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)C1=CC(=NC(=C1)CCC(=O)O)C2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O5S2/c1-26(23,24)11-8-10(6-7-15(20)21)18-13(9-11)17-19-16(22)12-4-2-3-5-14(12)25-17/h2-5,8-9H,6-7H2,1H3,(H,20,21)