2-[3-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]propanoyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]propanoyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-thiochroman-8-yloxyethylamino)propanoyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)ethylamino]-1-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]propanoyl]isoindole-1,3-dione Traditional Name: 2-[3-(2-thiochroman-8-yloxyethylamino)propanoyl]isoindoline-1,3-quinone Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCCNCCC(=O)N3C(=O)C4=CC=CC=C4C3=O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCCNCCC(=O)N3C(=O)C4=CC=CC=C4C3=O)SC1

InChI

InChI=1S/C22H22N2O4S/c25-19(24-21(26)16-7-1-2-8-17(16)22(24)27)10-11-23-12-13-28-18-9-3-5-15-6-4-14-29-20(15)18/h1-3,5,7-9,23H,4,6,10-14H2