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

Systemtic Name: methyl 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]benzoic acid methyl ester Formula: C19H13NO5S2 MolecularWeight: 399.44022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C19H13NO5S2/c1-23-18(22)12-3-5-13(6-4-12)20-17(21)16(27-19(20)26)9-11-2-7-14-15(8-11)25-10-24-14/h2-9H,10H2,1H3/b16-9+