ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-(2-pyridylmethoxy)indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[1-[(4-bromophenyl)methyl]-3-(tert-butylthio)-5-(2-pyridinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(4-bromophenyl)methyl]-3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[1-(4-bromobenzyl)-3-(tert-butylthio)-5-(2-pyridylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C32H37BrN2O3S MolecularWeight: 609.61678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OCC4=CC=CC=N4)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OCC4=CC=CC=N4)SC(C)(C)C

InChI

InChI=1S/C32H37BrN2O3S/c1-7-37-30(36)32(5,6)19-28-29(39-31(2,3)4)26-18-25(38-21-24-10-8-9-17-34-24)15-16-27(26)35(28)20-22-11-13-23(33)14-12-22/h8-18H,7,19-21H2,1-6H3