3-ethyl-3-oxidanyl-2-[[2-(3-oxidanylpentan-3-yl)thiophen-3-yl]methyl]isoindol-1-one

Systemtic Name: 3-ethyl-3-oxidanyl-2-[[2-(3-oxidanylpentan-3-yl)thiophen-3-yl]methyl]isoindol-1-one Openeye Name: 3-ethyl-2-[[2-(1-ethyl-1-hydroxy-propyl)-3-thienyl]methyl]-3-hydroxy-isoindolin-1-one CAS Name: 3-ethyl-3-hydroxy-2-[[2-(3-hydroxypentan-3-yl)-3-thiophenyl]methyl]-1-isoindolone IUPAC Name: 3-ethyl-3-hydroxy-2-[[2-(3-hydroxypentan-3-yl)thiophen-3-yl]methyl]isoindol-1-one Traditional Name: 3-ethyl-2-[[2-(1-ethyl-1-hydroxy-propyl)-3-thienyl]methyl]-3-hydroxy-isoindolin-1-one Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(=O)N1CC3=C(SC=C3)C(CC)(CC)O)O

Isomeric SMILES

CCC1(C2=CC=CC=C2C(=O)N1CC3=C(SC=C3)C(CC)(CC)O)O

InChI

InChI=1S/C20H25NO3S/c1-4-19(23,5-2)17-14(11-12-25-17)13-21-18(22)15-9-7-8-10-16(15)20(21,24)6-3/h7-12,23-24H,4-6,13H2,1-3H3