5-[[2-[4-(2-methyl-1-oxidanyl-propyl)phenyl]-5-sulfanylidene-pyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-[4-(2-methyl-1-oxidanyl-propyl)phenyl]-5-sulfanylidene-pyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[2-[4-(1-hydroxy-2-methyl-propyl)phenyl]-5-thioxo-pyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid CAS Name: 5-[[2-[4-(1-hydroxy-2-methylpropyl)phenyl]-5-sulfanylidene-1-pyrazolidinyl]methoxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-[4-(1-hydroxy-2-methylpropyl)phenyl]-5-sulfanylidenepyrazolidin-1-yl]methoxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[2-[4-(1-hydroxy-2-methyl-propyl)phenyl]-5-thioxo-pyrazolidin-1-yl]methoxymethyl]-2-furoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)N2CCC(=S)N2COCC3=CC=C(O3)C(=O)O)O

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)N2CCC(=S)N2COCC3=CC=C(O3)C(=O)O)O

InChI

InChI=1S/C20H24N2O5S/c1-13(2)19(23)14-3-5-15(6-4-14)21-10-9-18(28)22(21)12-26-11-16-7-8-17(27-16)20(24)25/h3-8,13,19,23H,9-12H2,1-2H3,(H,24,25)