butyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: butyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: butyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid butyl ester IUPAC Name: butyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanoic acid butyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CCCCOC(=O)CCCCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C21H25NO5S2/c1-2-3-11-25-19(23)7-5-4-6-10-22-20(24)18(29-21(22)28)13-15-8-9-16-17(12-15)27-14-26-16/h8-9,12-13H,2-7,10-11,14H2,1H3/b18-13-