ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=N3)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1)C=CC(=C2)OCC3=CC=CC=N3)SC(C)(C)C

InChI

InChI=1S/C25H32N2O3S/c1-7-29-23(28)25(5,6)15-21-22(31-24(2,3)4)19-14-18(11-12-20(19)27-21)30-16-17-10-8-9-13-26-17/h8-14,27H,7,15-16H2,1-6H3