2-[(2S)-1-(phenylmethylsulfanyl)propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-(phenylmethylsulfanyl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-2-benzylsulfanyl-1-methyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-(phenylmethylthio)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-benzylsulfanylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-2-(benzylthio)-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[C@@H](CSCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO2S/c1-13(11-22-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(19)21/h2-10,13H,11-12H2,1H3/t13-/m0/s1