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

Systemtic Name: 3-oxidanyl-2-[[2-(3-oxidanylpentan-3-yl)thiophen-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[2-(1-ethyl-1-hydroxy-propyl)-3-thienyl]methyl]-3-hydroxy-isoindolin-1-one CAS Name: 3-hydroxy-2-[[2-(3-hydroxypentan-3-yl)-3-thiophenyl]methyl]-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-[[2-(3-hydroxypentan-3-yl)thiophen-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[2-(1-ethyl-1-hydroxy-propyl)-3-thienyl]methyl]-3-hydroxy-isoindolin-1-one Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(C=CS1)CN2C(C3=CC=CC=C3C2=O)O)O

Isomeric SMILES

CCC(CC)(C1=C(C=CS1)CN2C(C3=CC=CC=C3C2=O)O)O

InChI

InChI=1S/C18H21NO3S/c1-3-18(22,4-2)15-12(9-10-23-15)11-19-16(20)13-7-5-6-8-14(13)17(19)21/h5-10,16,20,22H,3-4,11H2,1-2H3