5-[[4-cyano-2-(1-oxidanyl-2,3-dihydro-1H-inden-5-yl)-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-yl]methoxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-cyano-2-(1-oxidanyl-2,3-dihydro-1H-inden-5-yl)-1,1-bis(oxidanylidene)-1,2-thiazolidin-3-yl]methoxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-cyano-2-(1-hydroxyindan-5-yl)-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]furan-2-carboxylic acid CAS Name: 5-[[4-cyano-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-cyano-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-1,1-dioxo-1,2-thiazolidin-3-yl]methoxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[4-cyano-2-(1-hydroxyindan-5-yl)-1,1-diketo-1,2-thiazolidin-3-yl]methoxymethyl]-2-furoic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1O)C=CC(=C2)N3C(C(CS3(=O)=O)C#N)COCC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1CC2=C(C1O)C=CC(=C2)N3C(C(CS3(=O)=O)C#N)COCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C20H20N2O7S/c21-8-13-11-30(26,27)22(14-2-4-16-12(7-14)1-5-18(16)23)17(13)10-28-9-15-3-6-19(29-15)20(24)25/h2-4,6-7,13,17-18,23H,1,5,9-11H2,(H,24,25)