2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C20H21N3O2S2/c1-13-9-10-23(17-5-3-4-6-18(17)27-13)19(24)12-26-20-21-15-8-7-14(25-2)11-16(15)22-20/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,22)/t13-/m0/s1