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

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-pyrazin-2-ylphenyl)methyl]-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-pyrazin-2-ylphenyl)methyl]-5-(2-pyridylmethoxy)indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[[4-(2-pyrazinyl)phenyl]methyl]-5-(2-pyridinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-1-[(4-pyrazin-2-ylphenyl)methyl]-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-pyrazin-2-ylbenzyl)-5-(2-pyridylmethoxy)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=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=NC=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)21-32-33(44-35(2,3)4)29-20-28(43-24-27-10-8-9-17-38-27)15-16-31(29)40(32)23-25-11-13-26(14-12-25)30-22-37-18-19-39-30/h8-20,22H,7,21,23-24H2,1-6H3