4-[1-ethanoyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]thiophene-2-carbonitrile

Systemtic Name: 4-[1-ethanoyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]thiophene-2-carbonitrile Openeye Name: 4-[1-acetyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]thiophene-2-carbonitrile CAS Name: 4-[1-acetyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]-2-thiophenecarbonitrile IUPAC Name: 4-[1-acetyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]thiophene-2-carbonitrile Traditional Name: 4-[1-acetyl-4,4-dimethyl-2-(trifluoromethyl)-2H-3,1-benzoxazin-6-yl]thiophene-2-carbonitrile Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC(C2=C1C=CC(=C2)C3=CSC(=C3)C#N)(C)C)C(F)(F)F

Isomeric SMILES

CC(=O)N1C(OC(C2=C1C=CC(=C2)C3=CSC(=C3)C#N)(C)C)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O2S/c1-10(24)23-15-5-4-11(12-6-13(8-22)26-9-12)7-14(15)17(2,3)25-16(23)18(19,20)21/h4-7,9,16H,1-3H3