(1-butylsulfinyl-3-methoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfinyl-3-methoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-methoxy-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-butylsulfinyl-3-methoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-methoxypropan-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-(butylsulfinylmethyl)-2-methoxy-ethyl] ester Formula: C26H28N2O4S3 MolecularWeight: 528.70652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCS(=O)CC(COC)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H28N2O4S3/c1-3-4-13-35(30)18-20(16-31-2)32-25(29)17-34-26-22(15-27)21(19-9-6-5-7-10-19)14-23(28-26)24-11-8-12-33-24/h5-12,14,20H,3-4,13,16-18H2,1-2H3