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

Systemtic Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-(4-methoxy-2-nitrophenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(4-methoxy-2-nitrophenoxy)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[(2S)-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=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-13-9-10-20(15-5-3-4-6-18(15)27-13)19(22)12-26-17-8-7-14(25-2)11-16(17)21(23)24/h3-8,11,13H,9-10,12H2,1-2H3/t13-/m0/s1