1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-nitropyridin-3-yl)oxy-ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(2-nitro-3-pyridyl)oxy]ethanone Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-12-8-10-19(13-5-2-3-7-15(13)25-12)16(21)11-24-14-6-4-9-18-17(14)20(22)23/h2-7,9,12H,8,10-11H2,1H3