1-(4-methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxy-ethanone

Systemtic Name: 1-(4-methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxy-ethanone Openeye Name: 1-(4-methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxy-ethanone CAS Name: 1-[4-(methylthio)-2-phenyl-2H-1,5-benzothiazepin-5-yl]-2-phenoxyethanone IUPAC Name: 1-(4-methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxyethanone Traditional Name: 1-[4-(methylthio)-2-phenyl-2H-1,5-benzothiazepin-5-yl]-2-phenoxy-ethanone Formula: C24H21NO2S2 MolecularWeight: 419.55904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(SC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC(SC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO2S2/c1-28-24-16-22(18-10-4-2-5-11-18)29-21-15-9-8-14-20(21)25(24)23(26)17-27-19-12-6-3-7-13-19/h2-16,22H,17H2,1H3