3-ethylsulfanyl-5-fluoranyl-3-(2-hydroxyethyl)-1H-indol-2-one; 4-methylbenzenesulfonate

Systemtic Name: 3-ethylsulfanyl-5-fluoranyl-3-(2-hydroxyethyl)-1H-indol-2-one; 4-methylbenzenesulfonate Openeye Name: 3-ethylsulfanyl-5-fluoro-3-(2-hydroxyethyl)indolin-2-one; 4-methylbenzenesulfonate CAS Name: 3-(ethylthio)-5-fluoro-3-(2-hydroxyethyl)-1H-indol-2-one; 4-methylbenzenesulfonate IUPAC Name: 3-ethylsulfanyl-5-fluoro-3-(2-hydroxyethyl)-1H-indol-2-one; 4-methylbenzenesulfonate Traditional Name: 3-(ethylthio)-5-fluoro-3-(2-hydroxyethyl)oxindole tosylate Formula: C19H21FNO5S2- MolecularWeight: 426.502143

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C2=C(C=CC(=C2)F)NC1=O)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCSC1(C2=C(C=CC(=C2)F)NC1=O)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14FNO2S.C7H8O3S/c1-2-17-12(5-6-15)9-7-8(13)3-4-10(9)14-11(12)16;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7,15H,2,5-6H2,1H3,(H,14,16);2-5H,1H3,(H,8,9,10)/p-1