5,7-dimethoxy-3-(9-thiomorpholin-4-ylnonyl)-3H-2-benzofuran-1-one

Systemtic Name: 5,7-dimethoxy-3-(9-thiomorpholin-4-ylnonyl)-3H-2-benzofuran-1-one Openeye Name: 5,7-dimethoxy-3-(9-thiomorpholinononyl)-3H-isobenzofuran-1-one CAS Name: 5,7-dimethoxy-3-(9-thiomorpholin-4-ylnonyl)-3H-isobenzofuran-1-one IUPAC Name: 5,7-dimethoxy-3-(9-thiomorpholin-4-ylnonyl)-3H-2-benzofuran-1-one Traditional Name: 5,7-dimethoxy-3-(9-thiomorpholinononyl)phthalide Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(OC2=O)CCCCCCCCCN3CCSCC3)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C(OC2=O)CCCCCCCCCN3CCSCC3)OC

InChI

InChI=1S/C23H35NO4S/c1-26-18-16-19-20(28-23(25)22(19)21(17-18)27-2)10-8-6-4-3-5-7-9-11-24-12-14-29-15-13-24/h16-17,20H,3-15H2,1-2H3