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

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN(C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN(C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O2S/c1-15-10-11-24(18-6-4-5-7-20(18)27-15)21(25)14-23(2)13-16-8-9-19(26-3)17(22)12-16/h4-9,12,15H,10-11,13-14H2,1-3H3/t15-/m0/s1