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

Systemtic Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid Openeye Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-3-cyclohexyl-4-oxo-thiazolidin-2-ylidene]amino]benzoic acid CAS Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid IUPAC Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid Traditional Name: 3-[[(5Z)-3-cyclohexyl-4-keto-5-piperonylidene-thiazolidin-2-ylidene]amino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H22N2O5S/c27-22-21(12-15-9-10-19-20(11-15)31-14-30-19)32-24(26(22)18-7-2-1-3-8-18)25-17-6-4-5-16(13-17)23(28)29/h4-6,9-13,18H,1-3,7-8,14H2,(H,28,29)/b21-12-,25-24?