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

Systemtic Name: 2-[2-methylsulfanyl-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Openeye Name: 2-[2-methylsulfanyl-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoic acid CAS Name: 2-[2-(methylthio)-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid IUPAC Name: 2-[2-methylsulfanyl-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Traditional Name: 2-[2-(4-keto-1,3-benzothiazin-2-yl)-6-(methylthio)-4-pyridyl]propionic acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NC(=C1)SC)C2=NC(=O)C3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CC(C1=CC(=NC(=C1)SC)C2=NC(=O)C3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C17H14N2O3S2/c1-9(17(21)22)10-7-12(18-14(8-10)23-2)16-19-15(20)11-5-3-4-6-13(11)24-16/h3-9H,1-2H3,(H,21,22)