8-[(4-methylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-[(4-methylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(4-methyl-2-quinolyl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(4-methyl-2-quinolinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(4-methylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(4-methyl-2-quinolyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C20H16NO4S- MolecularWeight: 366.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C20H17NO4S/c1-12-6-18(21-17-5-3-2-4-16(12)17)26-10-15-8-13(20(22)23)7-14-9-24-11-25-19(14)15/h2-8H,9-11H2,1H3,(H,22,23)/p-1