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

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyridin-3-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[[4-(3-pyridyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1-[[4-(3-pyridinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyridin-3-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-[4-(3-pyridyl)benzyl]-5-(2-pyridylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C37H41N3O3S MolecularWeight: 607.80474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CN=CC=C4)C=CC(=C2)OCC5=CC=CC=N5)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CN=CC=C4)C=CC(=C2)OCC5=CC=CC=N5)SC(C)(C)C

InChI

InChI=1S/C37H41N3O3S/c1-7-42-35(41)37(5,6)22-33-34(44-36(2,3)4)31-21-30(43-25-29-12-8-9-20-39-29)17-18-32(31)40(33)24-26-13-15-27(16-14-26)28-11-10-19-38-23-28/h8-21,23H,7,22,24-25H2,1-6H3