8-(quinolin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-(quinolin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-(2-quinolylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[(2-quinolinylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-(quinolin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[(2-quinolylthio)methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4C=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)O)CSC3=NC4=CC=CC=C4C=C3)OCO1

InChI

InChI=1S/C19H15NO4S/c21-19(22)13-7-14-9-23-11-24-18(14)15(8-13)10-25-17-6-5-12-3-1-2-4-16(12)20-17/h1-8H,9-11H2,(H,21,22)