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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)amino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(2-methoxy-5-nitro-anilino)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-(2-methoxy-5-nitroanilino)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(2-methoxy-5-nitroanilino)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-(2-methoxy-5-nitro-anilino)-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CNC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O4S/c1-13-9-10-21(16-5-3-4-6-18(16)27-13)19(23)12-20-15-11-14(22(24)25)7-8-17(15)26-2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1