N-[2-[1,7-dimethoxy-2,8-bis(oxidanyl)-4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethyl]benzo[c][1,2,5,6]benzotetrathiocin-10-yl]ethyl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[2-[1,7-dimethoxy-2,8-bis(oxidanyl)-4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethyl]benzo[c][1,2,5,6]benzotetrathiocin-10-yl]ethyl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[2-[2,8-dihydroxy-1,7-dimethoxy-4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzo[c][1,2,5,6]benzotetrathiocin-10-yl]ethyl]-2,2,2-trifluoro-acetamide CAS Name: N-[2-[2,8-dihydroxy-1,7-dimethoxy-4-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]ethyl]-10-benzo[c][1,2,5,6]benzotetrathiocinyl]ethyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[2-[2,8-dihydroxy-1,7-dimethoxy-4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzo[c][1,2,5,6]benzotetrathiocin-10-yl]ethyl]-2,2,2-trifluoroacetamide Traditional Name: N-[2-[2,8-dihydroxy-1,7-dimethoxy-4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzo[c][1,2,5,6]benzotetrathiocin-10-yl]ethyl]-2,2,2-trifluoro-acetamide Formula: C22H20F6N2O6S4 MolecularWeight: 650.654419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1SSC3=C(C(=C(C=C3CCNC(=O)C(F)(F)F)O)OC)SS2)CCNC(=O)C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C2=C1SSC3=C(C(=C(C=C3CCNC(=O)C(F)(F)F)O)OC)SS2)CCNC(=O)C(F)(F)F)O

InChI

InChI=1S/C22H20F6N2O6S4/c1-35-13-11(31)7-9(3-5-29-19(33)21(23,24)25)15-17(13)39-38-16-10(4-6-30-20(34)22(26,27)28)8-12(32)14(36-2)18(16)40-37-15/h7-8,31-32H,3-6H2,1-2H3,(H,29,33)(H,30,34)