N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCCSC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CN1CCCSC2=CC=CC=C21

InChI

InChI=1S/C17H23N3OS/c1-13(2)17(3,12-18)19-16(21)11-20-9-6-10-22-15-8-5-4-7-14(15)20/h4-5,7-8,13H,6,9-11H2,1-3H3,(H,19,21)/t17-/m0/s1