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

Systemtic Name: 8-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(4,8-dimethyl-2-quinolyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C21H18NO4S- MolecularWeight: 380.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C21H19NO4S/c1-12-4-3-5-17-13(2)6-18(22-19(12)17)27-10-16-8-14(21(23)24)7-15-9-25-11-26-20(15)16/h3-8H,9-11H2,1-2H3,(H,23,24)/p-1