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

Systemtic Name: [1-(4-tert-butylphenoxy)-3-butylsulfonyl-propan-2-yl] 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-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-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [1-[(4-tert-butylphenoxy)methyl]-2-butylsulfonyl-ethyl] ester Formula: C37H40N2O5S2 MolecularWeight: 656.8539

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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=CC=C3)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=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C37H40N2O5S2/c1-5-6-21-46(41,42)26-31(24-43-30-19-17-29(18-20-30)37(2,3)4)44-35(40)25-45-36-33(23-38)32(27-13-9-7-10-14-27)22-34(39-36)28-15-11-8-12-16-28/h7-20,22,31H,5-6,21,24-26H2,1-4H3