2-(4-fluorophenyl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C18H18FNOS2 MolecularWeight: 347.470023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNOS2/c1-13-10-11-20(16-4-2-3-5-17(16)23-13)18(21)12-22-15-8-6-14(19)7-9-15/h2-9,13H,10-12H2,1H3