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

Systemtic Name: ethyl 4-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoate CAS Name: 4-[[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)propanoylamino]benzoic acid ethyl ester Formula: C23H20N2O6S2 MolecularWeight: 484.5447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

InChI

InChI=1S/C23H20N2O6S2/c1-2-29-22(28)15-4-6-16(7-5-15)24-20(26)9-10-25-21(27)19(33-23(25)32)12-14-3-8-17-18(11-14)31-13-30-17/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,26)