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

Systemtic Name: 8-(quinolin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(2-quinolylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(2-quinolinylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(quinolin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(2-quinolylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C19H14NO4S- MolecularWeight: 352.38376

Click to see the large picture

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)/p-1