1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 1-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C14H11F3N2O3S MolecularWeight: 344.30895

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2S1)N3C=C(C(=O)NC3=O)C(F)(F)F

Isomeric SMILES

C1C(OCC2=CC=CC=C2S1)N3C=C(C(=O)NC3=O)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O3S/c15-14(16,17)9-5-19(13(21)18-12(9)20)11-7-23-10-4-2-1-3-8(10)6-22-11/h1-5,11H,6-7H2,(H,18,20,21)