2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[2-(methylthio)-1,3-benzothiazol-6-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[2-(methylthio)-1,3-benzothiazol-6-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O

InChI

InChI=1S/C16H16N2O2S2/c1-21-16-17-12-7-6-9(8-13(12)22-16)18-14(19)10-4-2-3-5-11(10)15(18)20/h6-8,10-11H,2-5H2,1H3