5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-prop-2-enyl-isoindole-1,3-dione

Systemtic Name: 5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-dione CAS Name: 5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-quinone Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C22H20N2O3S/c1-3-11-24-21(26)16-9-8-15(13-17(16)22(24)27)20(25)23-12-10-14(2)28-19-7-5-4-6-18(19)23/h3-9,13-14H,1,10-12H2,2H3