8-[(8-methoxy-4-methyl-quinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(8-methoxy-4-methyl-quinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(8-methoxy-4-methyl-2-quinolyl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(8-methoxy-4-methyl-2-quinolinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(8-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(8-methoxy-4-methyl-2-quinolyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCC3=CC(=CC4=C3OCOC4)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCC3=CC(=CC4=C3OCOC4)C(=O)O

InChI

InChI=1S/C21H19NO5S/c1-12-6-18(22-19-16(12)4-3-5-17(19)25-2)28-10-15-8-13(21(23)24)7-14-9-26-11-27-20(14)15/h3-8H,9-11H2,1-2H3,(H,23,24)