3-[2-(1,3-benzodioxol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanenitrile

Systemtic Name: 3-[2-(1,3-benzodioxol-4-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanenitrile Openeye Name: 3-[2-(1,3-benzodioxol-4-yl)-4-oxo-thiazolidin-3-yl]propanenitrile CAS Name: 3-[2-(1,3-benzodioxol-4-yl)-4-oxo-3-thiazolidinyl]propanenitrile IUPAC Name: 3-[2-(1,3-benzodioxol-4-yl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile Traditional Name: 3-[2-(1,3-benzodioxol-4-yl)-4-keto-thiazolidin-3-yl]propionitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C2=C3C(=CC=C2)OCO3)CCC#N

Isomeric SMILES

C1C(=O)N(C(S1)C2=C3C(=CC=C2)OCO3)CCC#N

InChI

InChI=1S/C13H12N2O3S/c14-5-2-6-15-11(16)7-19-13(15)9-3-1-4-10-12(9)18-8-17-10/h1,3-4,13H,2,6-8H2