4-[4-(2,2-dimethyl-3-sulfanyl-propanoyl)phenoxy]-2-ethyl-isoindole-1,3-dione

Systemtic Name: 4-[4-(2,2-dimethyl-3-sulfanyl-propanoyl)phenoxy]-2-ethyl-isoindole-1,3-dione Openeye Name: 4-[4-(2,2-dimethyl-3-sulfanyl-propanoyl)phenoxy]-2-ethyl-isoindoline-1,3-dione CAS Name: 2-ethyl-4-[4-(3-mercapto-2,2-dimethyl-1-oxopropyl)phenoxy]isoindole-1,3-dione IUPAC Name: 4-[4-(2,2-dimethyl-3-sulfanylpropanoyl)phenoxy]-2-ethylisoindole-1,3-dione Traditional Name: 2-ethyl-4-[4-(3-mercapto-2,2-dimethyl-propanoyl)phenoxy]isoindoline-1,3-quinone Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C(=O)C(C)(C)CS

Isomeric SMILES

CCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C(=O)C(C)(C)CS

InChI

InChI=1S/C21H21NO4S/c1-4-22-19(24)15-6-5-7-16(17(15)20(22)25)26-14-10-8-13(9-11-14)18(23)21(2,3)12-27/h5-11,27H,4,12H2,1-3H3