2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl (4-nitrophenyl)methyl carbonate

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl (4-nitrophenyl)methyl carbonate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl (4-nitrophenyl)methyl carbonate CAS Name: carbonic acid 2-[[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]ethyl (4-nitrophenyl)methyl ester IUPAC Name: 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl (4-nitrophenyl)methyl carbonate Traditional Name: carbonic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl (4-nitrobenzyl) ester Formula: C20H20FN3O5S MolecularWeight: 433.453303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC(=S)NCCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C=CC=C2F

Isomeric SMILES

C1CC2=C(C1NC(=S)NCCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C=CC=C2F

InChI

InChI=1S/C20H20FN3O5S/c21-17-3-1-2-16-15(17)8-9-18(16)23-19(30)22-10-11-28-20(25)29-12-13-4-6-14(7-5-13)24(26)27/h1-7,18H,8-12H2,(H2,22,23,30)