2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[2-(2-methoxyphenoxy)ethylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[2-(2-methoxyphenoxy)ethylthio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C24H18N2O4S2 MolecularWeight: 462.54072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1OCCSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H18N2O4S2/c1-29-19-8-4-5-9-20(19)30-12-13-31-24-25-18-11-10-15(14-21(18)32-24)26-22(27)16-6-2-3-7-17(16)23(26)28/h2-11,14H,12-13H2,1H3