pentyl 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: pentyl 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: pentyl 3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propionic acid amyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CCCCCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

InChI

InChI=1S/C19H21NO5S2/c1-2-3-4-9-23-17(21)7-8-20-18(22)16(27-19(20)26)11-13-5-6-14-15(10-13)25-12-24-14/h5-6,10-11H,2-4,7-9,12H2,1H3