(8S)-8-(chloromethyl)-6-[[5-[[6-(diethylamino)-1-benzofuran-2-yl]carbonylamino]-1H-indol-2-yl]carbonyl]-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: (8S)-8-(chloromethyl)-6-[[5-[[6-(diethylamino)-1-benzofuran-2-yl]carbonylamino]-1H-indol-2-yl]carbonyl]-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Openeye Name: (8S)-8-(chloromethyl)-6-[5-[[6-(diethylamino)benzofuran-2-carbonyl]amino]-1H-indole-2-carbonyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate CAS Name: (8S)-8-(chloromethyl)-6-[[5-[[[6-(diethylamino)-2-benzofuranyl]-oxomethyl]amino]-1H-indol-2-yl]-oxomethyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate IUPAC Name: (8S)-8-(chloromethyl)-6-[5-[[6-(diethylamino)-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carbonyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Traditional Name: (8S)-8-(chloromethyl)-6-[5-[[6-(diethylamino)benzofuran-2-carbonyl]amino]-1H-indole-2-carbonyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylate Formula: C35H28ClF3N5O6- MolecularWeight: 707.07493

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)[O-])CCl

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5C[C@H](C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)[O-])CCl

InChI

InChI=1S/C35H29ClF3N5O6/c1-3-43(4-2)20-7-5-16-11-26(50-25(16)12-20)32(46)40-19-6-8-21-17(9-19)10-22(41-21)33(47)44-15-18(14-36)27-23(44)13-24(45)30-28(27)29(34(48)49)31(42-30)35(37,38)39/h5-13,18,41-42,45H,3-4,14-15H2,1-2H3,(H,40,46)(H,48,49)/p-1/t18-/m1/s1