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

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-5-(pyridin-2-ylmethoxy)-1-[(4-pyrimidin-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-5-(2-pyridylmethoxy)-1-[(4-pyrimidin-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-(2-pyridinylmethoxy)-1-[[4-(2-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-2-ylphenyl)methyl]indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-5-(2-pyridylmethoxy)-1-[4-(2-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=NC=CC=N4)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=NC=CC=N4)C=CC(=C2)OCC5=CC=CC=N5)SC(C)(C)C

InChI

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