2-[4-[2-[4-(3-cyclohexyl-1-oxidanyl-propyl)phenyl]-4-oxidanyl-5-oxidanylidene-3-sulfanylidene-pyrazolidin-1-yl]but-2-ynoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[4-(3-cyclohexyl-1-oxidanyl-propyl)phenyl]-4-oxidanyl-5-oxidanylidene-3-sulfanylidene-pyrazolidin-1-yl]but-2-ynoxy]ethanoic acid Openeye Name: 2-[4-[2-[4-(3-cyclohexyl-1-hydroxy-propyl)phenyl]-4-hydroxy-5-oxo-3-thioxo-pyrazolidin-1-yl]but-2-ynoxy]acetic acid CAS Name: 2-[4-[2-[4-(3-cyclohexyl-1-hydroxypropyl)phenyl]-4-hydroxy-5-oxo-3-sulfanylidene-1-pyrazolidinyl]but-2-ynoxy]acetic acid IUPAC Name: 2-[4-[2-[4-(3-cyclohexyl-1-hydroxypropyl)phenyl]-4-hydroxy-5-oxo-3-sulfanylidenepyrazolidin-1-yl]but-2-ynoxy]acetic acid Traditional Name: 2-[4-[2-[4-(3-cyclohexyl-1-hydroxy-propyl)phenyl]-4-hydroxy-5-keto-3-thioxo-pyrazolidin-1-yl]but-2-ynoxy]acetic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C2=CC=C(C=C2)N3C(=S)C(C(=O)N3CC#CCOCC(=O)O)O)O

Isomeric SMILES

C1CCC(CC1)CCC(C2=CC=C(C=C2)N3C(=S)C(C(=O)N3CC#CCOCC(=O)O)O)O

InChI

InChI=1S/C24H30N2O6S/c27-20(13-8-17-6-2-1-3-7-17)18-9-11-19(12-10-18)26-24(33)22(30)23(31)25(26)14-4-5-15-32-16-21(28)29/h9-12,17,20,22,27,30H,1-3,6-8,13-16H2,(H,28,29)