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

Systemtic Name: methyl 4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Openeye Name: methyl 4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]methylamino]benzoate CAS Name: 4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Traditional Name: 4-[[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]methylamino]benzoic acid methyl ester Formula: C20H16N2O5S2 MolecularWeight: 428.48144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C20H16N2O5S2/c1-25-19(24)13-3-5-14(6-4-13)21-10-22-18(23)17(29-20(22)28)9-12-2-7-15-16(8-12)27-11-26-15/h2-9,21H,10-11H2,1H3/b17-9+