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

Systemtic Name: 2-[2-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-thiochroman-8-yloxyethylamino)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)ethylamino]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(2-thiochroman-8-yloxyethylamino)ethyl]isoindoline-1,3-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCCNCCN3C(=O)C4=CC=CC=C4C3=O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCCNCCN3C(=O)C4=CC=CC=C4C3=O)SC1

InChI

InChI=1S/C21H22N2O3S/c24-20-16-7-1-2-8-17(16)21(25)23(20)12-10-22-11-13-26-18-9-3-5-15-6-4-14-27-19(15)18/h1-3,5,7-9,22H,4,6,10-14H2