[1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]acetic acid [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenoxy)-3-butylsulfonylpropan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] ester Formula: C35H38N2O5S3 MolecularWeight: 662.88162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)(=O)CC(COC1=CC=C(C=C1)C(C)(C)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C35H38N2O5S3/c1-5-6-19-45(39,40)24-28(22-41-27-16-14-26(15-17-27)35(2,3)4)42-33(38)23-44-34-30(21-36)29(25-11-8-7-9-12-25)20-31(37-34)32-13-10-18-43-32/h7-18,20,28H,5-6,19,22-24H2,1-4H3