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

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenoxy)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenoxy)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenoxy)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenoxy)ethanone Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-13-10-11-19(16-4-2-3-5-17(16)25-13)18(21)12-24-15-8-6-14(7-9-15)20(22)23/h2-9,13H,10-12H2,1H3