(6E)-7-[2-[(3-chlorophenyl)methylsulfanyl]phenyl]-6-[ethoxy(oxidanyl)methylidene]-4,7-dihydro-3H-2-benzofuran-1,5-dione

Systemtic Name: (6E)-7-[2-[(3-chlorophenyl)methylsulfanyl]phenyl]-6-[ethoxy(oxidanyl)methylidene]-4,7-dihydro-3H-2-benzofuran-1,5-dione Openeye Name: (6E)-7-[2-[(3-chlorophenyl)methylsulfanyl]phenyl]-6-[ethoxy(hydroxy)methylene]-4,7-dihydro-3H-isobenzofuran-1,5-dione CAS Name: (6E)-7-[2-[(3-chlorophenyl)methylthio]phenyl]-6-[ethoxy(hydroxy)methylidene]-4,7-dihydro-3H-isobenzofuran-1,5-dione IUPAC Name: (6E)-7-[2-[(3-chlorophenyl)methylsulfanyl]phenyl]-6-[ethoxy(hydroxy)methylidene]-4,7-dihydro-3H-2-benzofuran-1,5-dione Traditional Name: (6E)-7-[2-[(3-chlorobenzyl)thio]phenyl]-6-[ethoxy(hydroxy)methylene]-4,7-dihydro-3H-isobenzofuran-1,5-quinone Formula: C24H21ClO5S MolecularWeight: 456.93854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C2=C(CC1=O)COC2=O)C3=CC=CC=C3SCC4=CC(=CC=C4)Cl)O

Isomeric SMILES

CCO/C(=C/1\C(C2=C(CC1=O)COC2=O)C3=CC=CC=C3SCC4=CC(=CC=C4)Cl)/O

InChI

InChI=1S/C24H21ClO5S/c1-2-29-24(28)22-18(26)11-15-12-30-23(27)20(15)21(22)17-8-3-4-9-19(17)31-13-14-6-5-7-16(25)10-14/h3-10,21,28H,2,11-13H2,1H3/b24-22-