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

Systemtic Name: methyl 2-(2,2-dimethyl-3,4-dihydrothiochromen-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-(2,2-dimethylthiochroman-6-yl)-5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 2-(2,2-dimethyl-3,4-dihydro-1-benzothiopyran-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-dimethyl-3,4-dihydrothiochromen-6-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 2-(2,2-dimethylthiochroman-6-yl)-5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C28H25FN2O2S MolecularWeight: 472.573703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(S1)C=CC(=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC)C

Isomeric SMILES

CC1(CCC2=C(S1)C=CC(=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC)C

InChI

InChI=1S/C28H25FN2O2S/c1-28(2)13-10-19-16-20(6-9-22(19)34-28)26-24(27(32)33-3)23(17-11-14-30-15-12-17)25(31-26)18-4-7-21(29)8-5-18/h4-9,11-12,14-16,31H,10,13H2,1-3H3