(2S)-2-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S)-2-methyl-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S)-2-methyl-5-[2-oxo-2-(1-piperidyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S)-2-methyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S)-2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S)-5-(2-keto-2-piperidino-ethyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CC(=O)N(C2=CC=CC=C2S1)CC(=O)N3CCCCC3

InChI

InChI=1S/C17H22N2O2S/c1-13-11-16(20)19(14-7-3-4-8-15(14)22-13)12-17(21)18-9-5-2-6-10-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3/t13-/m0/s1