tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

Systemtic Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate Openeye Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-(4-pyridyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxylate CAS Name: 3-(4-fluorophenyl)-7-(methylthio)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate Traditional Name: 3-(4-fluorophenyl)-7-(methylthio)-2-(4-pyridyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid tert-butyl ester Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CN=C2C(=C(NC2=C1SC)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CN=C2C(=C(NC2=C1SC)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O2S/c1-24(2,3)30-23(29)17-13-27-20-18(14-5-7-16(25)8-6-14)19(15-9-11-26-12-10-15)28-21(20)22(17)31-4/h5-13,28H,1-4H3