2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C19H21N3O3S/c1-13-10-15(17(22(24)25)11-14(13)2)20-19(23)12-21-8-5-9-26-18-7-4-3-6-16(18)21/h3-4,6-7,10-11H,5,8-9,12H2,1-2H3,(H,20,23)