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

Systemtic Name: 5-[[4-cyano-2-(1-oxidanyl-2,3-dihydro-1H-inden-5-yl)-5-sulfanylidene-pyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-cyano-2-(1-hydroxyindan-5-yl)-5-thioxo-pyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid CAS Name: 5-[[4-cyano-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-5-sulfanylidene-1-pyrazolidinyl]methoxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-cyano-2-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)-5-sulfanylidenepyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[4-cyano-2-(1-hydroxyindan-5-yl)-5-thioxo-pyrazolidin-1-yl]methoxymethyl]-2-furoic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1O)C=CC(=C2)N3CC(C(=S)N3COCC4=CC=C(O4)C(=O)O)C#N

Isomeric SMILES

C1CC2=C(C1O)C=CC(=C2)N3CC(C(=S)N3COCC4=CC=C(O4)C(=O)O)C#N

InChI

InChI=1S/C20H19N3O5S/c21-8-13-9-22(14-2-4-16-12(7-14)1-5-17(16)24)23(19(13)29)11-27-10-15-3-6-18(28-15)20(25)26/h2-4,6-7,13,17,24H,1,5,9-11H2,(H,25,26)