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

Systemtic Name: 2-(furan-2-ylmethyl)-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]isoindole-1,3-dione Openeye Name: 2-(2-furylmethyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-dione CAS Name: 2-(2-furanylmethyl)-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(furan-2-ylmethyl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindole-1,3-dione Traditional Name: 2-(2-furfuryl)-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-quinone Formula: C24H20N2O4S MolecularWeight: 432.4916

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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)CC5=CC=CO5

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CO5

InChI

InChI=1S/C24H20N2O4S/c1-15-10-11-25(20-6-2-3-7-21(20)31-15)22(27)16-8-9-18-19(13-16)24(29)26(23(18)28)14-17-5-4-12-30-17/h2-9,12-13,15H,10-11,14H2,1H3