ethyl 4-[[(5E)-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[(5E)-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[(5E)-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-4-oxo-thiazolidin-2-ylidene]amino]benzoate CAS Name: 4-[[(5E)-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-thiazolidinylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5E)-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate Traditional Name: 4-[[(5E)-4-keto-3-methyl-5-[(6-methyl-1,3-benzodioxol-5-yl)methylene]thiazolidin-2-ylidene]amino]benzoic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC4=C(C=C3C)OCO4)S2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)/C(=C\C3=CC4=C(C=C3C)OCO4)/S2)C

InChI

InChI=1S/C22H20N2O5S/c1-4-27-21(26)14-5-7-16(8-6-14)23-22-24(3)20(25)19(30-22)11-15-10-18-17(9-13(15)2)28-12-29-18/h5-11H,4,12H2,1-3H3/b19-11+,23-22?