2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-keto-butyl]isoindoline-1,3-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CCN1C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

Isomeric SMILES

CCC1C2=C(CCN1C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

InChI

InChI=1S/C21H22N2O3S/c1-2-17-16-10-13-27-18(16)9-12-22(17)19(24)8-5-11-23-20(25)14-6-3-4-7-15(14)21(23)26/h3-4,6-7,10,13,17H,2,5,8-9,11-12H2,1H3