2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC(SC4=CC=CC=C43)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CC[C@H](SC4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3OS2/c1-3-23-17-9-5-4-8-16(17)22-21(23)26-14-20(25)24-13-12-15(2)27-19-11-7-6-10-18(19)24/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1