2-(2,2,4,4-tetramethyl-1-methylsulfanyl-3-oxidanylidene-cyclobutyl)isoindole-1,3-dione

Systemtic Name: 2-(2,2,4,4-tetramethyl-1-methylsulfanyl-3-oxidanylidene-cyclobutyl)isoindole-1,3-dione Openeye Name: 2-(2,2,4,4-tetramethyl-1-methylsulfanyl-3-oxo-cyclobutyl)isoindoline-1,3-dione CAS Name: 2-[2,2,4,4-tetramethyl-1-(methylthio)-3-oxocyclobutyl]isoindole-1,3-dione IUPAC Name: 2-(2,2,4,4-tetramethyl-1-methylsulfanyl-3-oxocyclobutyl)isoindole-1,3-dione Traditional Name: 2-[3-keto-2,2,4,4-tetramethyl-1-(methylthio)cyclobutyl]isoindoline-1,3-quinone Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(C1(N2C(=O)C3=CC=CC=C3C2=O)SC)(C)C)C

Isomeric SMILES

CC1(C(=O)C(C1(N2C(=O)C3=CC=CC=C3C2=O)SC)(C)C)C

InChI

InChI=1S/C17H19NO3S/c1-15(2)14(21)16(3,4)17(15,22-5)18-12(19)10-8-6-7-9-11(10)13(18)20/h6-9H,1-5H3