2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]ethyl]isoindoline-1,3-quinone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H16N2O3S/c1-10-14(11(2)21-17-10)9-22-8-7-18-15(19)12-5-3-4-6-13(12)16(18)20/h3-6H,7-9H2,1-2H3