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

Systemtic Name: 2-butyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]isoindole-1,3-dione Openeye Name: 2-butyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-dione CAS Name: 2-butyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)isoindoline-1,3-quinone Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(SC4=CC=CC=C43)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(SC4=CC=CC=C43)C

InChI

InChI=1S/C23H24N2O3S/c1-3-4-12-25-22(27)17-10-9-16(14-18(17)23(25)28)21(26)24-13-11-15(2)29-20-8-6-5-7-19(20)24/h5-10,14-15H,3-4,11-13H2,1-2H3