2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C21H23NO2S3 MolecularWeight: 417.60782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H23NO2S3/c1-15-10-11-22(18-4-2-3-5-19(18)27-15)20(23)14-24-17-8-6-16(7-9-17)21-25-12-13-26-21/h2-9,15,21H,10-14H2,1H3