[(1S)-1-[3-[3,3,4,4,5,5-hexakis(fluoranyl)-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1-benzothiophen-2-yl]ethyl] N-(4-nitrophenyl)carbamate

Systemtic Name: [(1S)-1-[3-[3,3,4,4,5,5-hexakis(fluoranyl)-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1-benzothiophen-2-yl]ethyl] N-(4-nitrophenyl)carbamate Openeye Name: [(1S)-1-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methylbenzothiophen-3-yl)cyclopenten-1-yl]benzothiophen-2-yl]ethyl] N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic acid [(1S)-1-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)-1-cyclopentenyl]-1-benzothiophen-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1-benzothiophen-2-yl]ethyl] N-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid [(1S)-1-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methylbenzothiophen-3-yl)cyclopenten-1-yl]benzothiophen-2-yl]ethyl] ester Formula: C31H20F6N2O4S2 MolecularWeight: 662.621919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)C(C)OC(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)[C@H](C)OC(=O)NC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H20F6N2O4S2/c1-15(43-28(40)38-17-11-13-18(14-12-17)39(41)42)27-24(20-8-4-6-10-22(20)45-27)26-25(29(32,33)31(36,37)30(26,34)35)23-16(2)44-21-9-5-3-7-19(21)23/h3-15H,1-2H3,(H,38,40)/t15-/m0/s1