3-[[(5Z)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Systemtic Name: 3-[[(5Z)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-3-ethyl-4-keto-thiazolidin-2-ylidene]amino]benzoic acid Formula: C20H15BrN2O5S MolecularWeight: 475.3125

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)SC1=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/SC1=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H15BrN2O5S/c1-2-23-18(24)17(8-12-7-15-16(9-14(12)21)28-10-27-15)29-20(23)22-13-5-3-4-11(6-13)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)/b17-8-,22-20?