2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H21FN2O2S/c1-20(2)11-19(25)23(16-5-3-4-6-17(16)26-20)13-18(24)22-12-14-7-9-15(21)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,24)