3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-keto-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C18H9F3N2O3S MolecularWeight: 390.33587

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C(C#N)C3=NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C(C#N)C3=NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H9F3N2O3S/c19-18(20,21)10-2-4-15-12(6-10)23-17(27-15)11(7-22)16(24)9-1-3-13-14(5-9)26-8-25-13/h1-6,11H,8H2