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

Systemtic Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[2-(ethylthio)-1,3-benzothiazol-6-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[2-(ethylthio)-1,3-benzothiazol-6-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4CCCCC4C3=O

InChI

InChI=1S/C17H18N2O2S2/c1-2-22-17-18-13-8-7-10(9-14(13)23-17)19-15(20)11-5-3-4-6-12(11)16(19)21/h7-9,11-12H,2-6H2,1H3