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

Systemtic Name: ethyl 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: ethyl 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propionic acid ethyl ester Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CCN1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C16H15NO5S2/c1-2-20-14(18)5-6-17-15(19)13(24-16(17)23)8-10-3-4-11-12(7-10)22-9-21-11/h3-4,7-8H,2,5-6,9H2,1H3/b13-8+