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

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1-[[4-(5-pyrimidinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyrimidin-5-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1-[4-(5-pyrimidyl)benzyl]indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C36H40N4O3S MolecularWeight: 608.7928

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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=CN=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=CN=C4)C=CC(=C2)OCC5=CC=CC=N5)SC(C)(C)C

InChI

InChI=1S/C36H40N4O3S/c1-7-42-34(41)36(5,6)19-32-33(44-35(2,3)4)30-18-29(43-23-28-10-8-9-17-39-28)15-16-31(30)40(32)22-25-11-13-26(14-12-25)27-20-37-24-38-21-27/h8-18,20-21,24H,7,19,22-23H2,1-6H3