2-[[4-oxidanyl-7-(phenylsulfinyl)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-oxidanyl-7-(phenylsulfinyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(benzenesulfinyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(benzenesulfinyl)-4-hydroxy-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(benzenesulfinyl)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(benzenesulfinyl)-4-hydroxy-isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)C2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)C2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H14N2O5S/c21-15(22)10-20-18(24)16-17(23)14-7-6-13(8-11(14)9-19-16)26(25)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,20,24)(H,21,22)