7-[(7-chloranylquinolin-4-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one

Systemtic Name: 7-[(7-chloranylquinolin-4-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(7-chloro-4-quinolyl)sulfanylmethyl]-4,5,6-triethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(7-chloro-4-quinolinyl)thio]methyl]-4,5,6-triethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(7-chloro-4-quinolyl)thio]methyl]-4,5,6-triethoxy-phthalide Formula: C24H24ClNO5S MolecularWeight: 473.96906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=C4C=CC(=CC4=NC=C3)Cl)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=C4C=CC(=CC4=NC=C3)Cl)OCC)OCC

InChI

InChI=1S/C24H24ClNO5S/c1-4-28-21-16-12-31-24(27)20(16)17(22(29-5-2)23(21)30-6-3)13-32-19-9-10-26-18-11-14(25)7-8-15(18)19/h7-11H,4-6,12-13H2,1-3H3