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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCN1C(=O)C2=CC=CC=C2C1=O)OC3=CC=CC4=C3SCCC4

Isomeric SMILES

CC(NCCN1C(=O)C2=CC=CC=C2C1=O)OC3=CC=CC4=C3SCCC4

InChI

InChI=1S/C21H22N2O3S/c1-14(26-18-10-4-6-15-7-5-13-27-19(15)18)22-11-12-23-20(24)16-8-2-3-9-17(16)21(23)25/h2-4,6,8-10,14,22H,5,7,11-13H2,1H3