2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-3-pyrrolidin-1-yl-propanenitrile

Systemtic Name: 2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazolidin-2-ylidene]-3-oxidanylidene-3-pyrrolidin-1-yl-propanenitrile Openeye Name: 2-[5-(1,3-benzodioxol-5-ylmethylene)-3-benzyl-4-oxo-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-yl-propanenitrile CAS Name: 2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-3-(phenylmethyl)-2-thiazolidinylidene]-3-oxo-3-(1-pyrrolidinyl)propanenitrile IUPAC Name: 2-[5-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile Traditional Name: 2-(3-benzyl-4-keto-5-piperonylidene-thiazolidin-2-ylidene)-3-keto-3-pyrrolidino-propionitrile Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=C2N(C(=O)C(=CC3=CC4=C(C=C3)OCO4)S2)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C(=C2N(C(=O)C(=CC3=CC4=C(C=C3)OCO4)S2)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H21N3O4S/c26-14-19(23(29)27-10-4-5-11-27)25-28(15-17-6-2-1-3-7-17)24(30)22(33-25)13-18-8-9-20-21(12-18)32-16-31-20/h1-3,6-9,12-13H,4-5,10-11,15-16H2