(3aS,7aS)-5-methyl-2-(3-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-5-methyl-2-(3-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-5-methyl-2-(3-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-5-methyl-2-[3-(methylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-5-methyl-2-(3-methylsulfanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-5-methyl-2-[3-(methylthio)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C16H17NO2S/c1-10-6-7-13-14(8-10)16(19)17(15(13)18)11-4-3-5-12(9-11)20-2/h3-6,9,13-14H,7-8H2,1-2H3/t13-,14-/m0/s1