(4-bromanyl-3-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3S/c1-11-8-9-19(14-4-2-3-5-16(14)24-11)17(21)12-6-7-13(18)15(10-12)20(22)23/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1