2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C23H24N2OS2 MolecularWeight: 408.57946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C23H24N2OS2/c1-15-7-6-8-18-16(2)13-21(24-23(15)18)27-14-22(26)25-12-11-17(3)28-20-10-5-4-9-19(20)25/h4-10,13,17H,11-12,14H2,1-3H3/t17-/m1/s1