(2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: (2R)-2-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C17H16NO5S2- MolecularWeight: 378.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C17H17NO5S2/c1-2-3-4-11(16(20)21)18-15(19)14(25-17(18)24)8-10-5-6-12-13(7-10)23-9-22-12/h5-8,11H,2-4,9H2,1H3,(H,20,21)/p-1/b14-8-/t11-/m1/s1