4,4-dimethyl-2-(2-methyl-1-sulfanyl-propyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(2-methyl-1-sulfanyl-propyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(2-methyl-1-sulfanyl-propyl)isoquinoline-1,3-dione CAS Name: 2-(1-mercapto-2-methylpropyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(2-methyl-1-sulfanylpropyl)isoquinoline-1,3-dione Traditional Name: 2-(1-mercapto-2-methyl-propyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2S/c1-9(2)13(19)16-12(17)10-7-5-6-8-11(10)15(3,4)14(16)18/h5-9,13,19H,1-4H3