4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one

Systemtic Name: 4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Openeye Name: 4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one CAS Name: 4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one IUPAC Name: 4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Traditional Name: 4-phenyl-4-(trifluoromethyl)-3H-1,5,3-benzoxathiazepin-2-one Formula: C15H10F3NO2S MolecularWeight: 325.30561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(NC(=O)OC3=CC=CC=C3S2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2(NC(=O)OC3=CC=CC=C3S2)C(F)(F)F

InChI

InChI=1S/C15H10F3NO2S/c16-15(17,18)14(10-6-2-1-3-7-10)19-13(20)21-11-8-4-5-9-12(11)22-14/h1-9H,(H,19,20)