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

Systemtic Name: 7-[(7-chloranylquinolin-4-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-[(7-chloro-4-quinolyl)sulfanylmethyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[[(7-chloro-4-quinolinyl)thio]methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-[(7-chloroquinolin-4-yl)sulfanylmethyl]-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(7-chloro-4-quinolyl)thio]methyl]-4,5,6-trimethoxy-phthalide Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=C4C=CC(=CC4=NC=C3)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=C4C=CC(=CC4=NC=C3)Cl)OC)OC

InChI

InChI=1S/C21H18ClNO5S/c1-25-18-13-9-28-21(24)17(13)14(19(26-2)20(18)27-3)10-29-16-6-7-23-15-8-11(22)4-5-12(15)16/h4-8H,9-10H2,1-3H3