3-[5-[(E)-(4-oxidanylidene-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-(4-oxidanylidene-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-(3-isopropyl-2-isopropylimino-4-oxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-5-thiazolidinylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-(3-isopropyl-2-isopropylimino-4-keto-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)S1)C(C)C

Isomeric SMILES

CC(C)N=C1N(C(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/S1)C(C)C

InChI

InChI=1S/C21H22N2O4S/c1-12(2)22-21-23(13(3)4)19(24)18(28-21)11-16-8-9-17(27-16)14-6-5-7-15(10-14)20(25)26/h5-13H,1-4H3,(H,25,26)/b18-11+,22-21?