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

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO3S/c1-12-8-9-21(14-6-4-5-7-17(14)25-12)19(22)13-10-15(23-2)18(20)16(11-13)24-3/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1