4-(phenylmethyl)-2-phenylsulfanyl-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one

Systemtic Name: 4-(phenylmethyl)-2-phenylsulfanyl-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one Openeye Name: 4-benzyl-2-phenylsulfanyl-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one CAS Name: 4-(phenylmethyl)-2-(phenylthio)-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one IUPAC Name: 4-benzyl-2-phenylsulfanyl-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one Traditional Name: 4-benzyl-2-(phenylthio)-7-(trifluoromethyl)-2,3-dihydro-1,4-oxazepin-5-one Formula: C19H16F3NO2S MolecularWeight: 379.39605

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=CC(=O)N1CC2=CC=CC=C2)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

C1C(OC(=CC(=O)N1CC2=CC=CC=C2)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C19H16F3NO2S/c20-19(21,22)16-11-17(24)23(12-14-7-3-1-4-8-14)13-18(25-16)26-15-9-5-2-6-10-15/h1-11,18H,12-13H2