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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

COC(=O)CCCN1C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C16H15NO5S2/c1-20-14(18)3-2-6-17-15(19)13(24-16(17)23)8-10-4-5-11-12(7-10)22-9-21-11/h4-5,7-8H,2-3,6,9H2,1H3/b13-8+