(4-nitrophenyl)methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-5-(3-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-5-(3-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(3-fluorophenyl)-4-(4-pyridyl)-2-thiochroman-6-yl-1H-pyrrole-3-carboxylate CAS Name: 2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-5-(3-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3,4-dihydro-2H-thiochromen-6-yl)-5-(3-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-(3-fluorophenyl)-4-(4-pyridyl)-2-thiochroman-6-yl-1H-pyrrole-3-carboxylic acid (4-nitrobenzyl) ester Formula: C32H24FN3O4S MolecularWeight: 565.614063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=C(C(=C(N3)C4=CC(=CC=C4)F)C5=CC=NC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=C(C(=C(N3)C4=CC(=CC=C4)F)C5=CC=NC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])SC1

InChI

InChI=1S/C32H24FN3O4S/c33-25-5-1-3-23(18-25)30-28(21-12-14-34-15-13-21)29(32(37)40-19-20-6-9-26(10-7-20)36(38)39)31(35-30)24-8-11-27-22(17-24)4-2-16-41-27/h1,3,5-15,17-18,35H,2,4,16,19H2