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

Systemtic Name: methyl 5-(4-fluorophenyl)-2-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(4-fluorophenyl)-2-(2-methylthiochroman-6-yl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-(2-methyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-fluorophenyl)-2-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-2-(2-methylthiochroman-6-yl)-4-(4-pyridyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C27H23FN2O2S MolecularWeight: 458.547123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(S1)C=CC(=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC

Isomeric SMILES

CC1CCC2=C(S1)C=CC(=C2)C3=C(C(=C(N3)C4=CC=C(C=C4)F)C5=CC=NC=C5)C(=O)OC

InChI

InChI=1S/C27H23FN2O2S/c1-16-3-4-19-15-20(7-10-22(19)33-16)26-24(27(31)32-2)23(17-11-13-29-14-12-17)25(30-26)18-5-8-21(28)9-6-18/h5-16,30H,3-4H2,1-2H3