2,3-bis(butylsulfinyl)propyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2,3-bis(butylsulfinyl)propyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: 2,3-bis(butylsulfinyl)propyl 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid 2,3-bis(butylsulfinyl)propyl ester IUPAC Name: 2,3-bis(butylsulfinyl)propyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetic acid 2,3-bis(butylsulfinyl)propyl ester Formula: C32H38N2O5S3 MolecularWeight: 626.84952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)S(=O)CCCC

Isomeric SMILES

CCCCS(=O)CC(COC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)C#N)S(=O)CCCC

InChI

InChI=1S/C32H38N2O5S3/c1-4-6-17-41(36)23-27(42(37)18-7-5-2)21-39-31(35)22-40-32-29(20-33)28(24-11-9-8-10-12-24)19-30(34-32)25-13-15-26(38-3)16-14-25/h8-16,19,27H,4-7,17-18,21-23H2,1-3H3