4,4-dimethyl-2-(1-sulfanylethyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(1-sulfanylethyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(1-sulfanylethyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercaptoethyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(1-sulfanylethyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercaptoethyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

Isomeric SMILES

CC(N1C(=O)C2=CC=CC=C2C(C1=O)(C)C)S

InChI

InChI=1S/C13H15NO2S/c1-8(17)14-11(15)9-6-4-5-7-10(9)13(2,3)12(14)16/h4-8,17H,1-3H3