2-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 2-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 2-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 2-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 2-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 2-[[(5Z)-3-ethyl-4-keto-5-piperonylidene-thiazolidin-2-ylidene]amino]benzoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H16N2O5S/c1-2-22-18(23)17(10-12-7-8-15-16(9-12)27-11-26-15)28-20(22)21-14-6-4-3-5-13(14)19(24)25/h3-10H,2,11H2,1H3,(H,24,25)/b17-10-,21-20?