4-[5-[(E)-[(2Z)-2-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(E)-[(2Z)-2-(1-cyano-2-morpholin-4-yl-2-oxidanylidene-ethylidene)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-[(2Z)-2-(1-cyano-2-morpholino-2-oxo-ethylidene)-4-oxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(E)-[(2Z)-2-[1-cyano-2-(4-morpholinyl)-2-oxoethylidene]-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(E)-[(2Z)-2-(1-cyano-2-morpholin-4-yl-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-[(2Z)-2-(1-cyano-2-keto-2-morpholino-ethylidene)-4-keto-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=C2NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)S2)C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C\2/NC(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/S2)/C#N

InChI

InChI=1S/C22H17N3O6S/c23-12-16(21(27)25-7-9-30-10-8-25)20-24-19(26)18(32-20)11-15-5-6-17(31-15)13-1-3-14(4-2-13)22(28)29/h1-6,11H,7-10H2,(H,24,26)(H,28,29)/b18-11+,20-16-