(phenylmethyl) 5-(4-fluorophenyl)-2-(4-oxidanylidene-2,3-dihydrothiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(4-fluorophenyl)-2-(4-oxidanylidene-2,3-dihydrothiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 5-(4-fluorophenyl)-2-(4-oxothiochroman-6-yl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-(4-oxo-2,3-dihydro-1-benzothiopyran-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-fluorophenyl)-2-(4-oxo-2,3-dihydrothiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-2-(4-ketothiochroman-6-yl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C32H23FN2O3S MolecularWeight: 534.600023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=O)C=C(C=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CSC2=C(C1=O)C=C(C=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C32H23FN2O3S/c33-24-9-6-22(7-10-24)30-28(21-12-15-34-16-13-21)29(32(37)38-19-20-4-2-1-3-5-20)31(35-30)23-8-11-27-25(18-23)26(36)14-17-39-27/h1-13,15-16,18,35H,14,17,19H2