2-(2-methoxy-5-nitro-phenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(2-methoxy-5-nitro-phenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(2-methoxy-5-nitro-phenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(2-methoxy-5-nitrophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(2-methoxy-5-nitrophenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(2-methoxy-5-nitro-phenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-13-9-10-20(15-5-3-4-6-18(15)27-13)19(22)12-26-17-11-14(21(23)24)7-8-16(17)25-2/h3-8,11,13H,9-10,12H2,1-2H3