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

Systemtic Name: 3-[2-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Openeye Name: 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoic acid CAS Name: 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid IUPAC Name: 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoic acid Traditional Name: 3-[2-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-4-pyridyl]propionic acid Formula: C16H11ClN2O3S MolecularWeight: 346.78814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=NC2=O)C3=NC=CC(=C3)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=NC2=O)C3=NC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C16H11ClN2O3S/c17-10-2-3-11-13(8-10)23-16(19-15(11)22)12-7-9(5-6-18-12)1-4-14(20)21/h2-3,5-8H,1,4H2,(H,20,21)