2-[(3R)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3R)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide CAS Name: 2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide Traditional Name: N-benzyl-2-[(3R)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](C(=O)NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c21-17(19-11-13-6-2-1-3-7-13)10-14-12-23-16-9-5-4-8-15(16)20-18(14)22/h1-9,14H,10-12H2,(H,19,21)(H,20,22)/t14-/m0/s1