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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H19N3O3S/c1-13-7-8-14(21(23)24)11-15(13)19-18(22)12-20-9-4-10-25-17-6-3-2-5-16(17)20/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,22)