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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H24FN3O4S/c33-25-8-5-22(6-9-25)30-28(21-13-15-34-16-14-21)29(32(37)40-19-20-3-10-26(11-4-20)36(38)39)31(35-30)24-7-12-27-23(18-24)2-1-17-41-27/h3-16,18,35H,1-2,17,19H2