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

Systemtic Name: (1-butylsulfinyl-3-propan-2-yloxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-isopropoxy-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-propan-2-yloxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-propan-2-yloxypropan-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-isopropoxy-ethyl] ester Formula: C28H32N2O4S3 MolecularWeight: 556.75968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S3/c1-4-5-14-37(32)19-22(17-33-20(2)3)34-27(31)18-36-28-24(16-29)23(21-10-7-6-8-11-21)15-25(30-28)26-12-9-13-35-26/h6-13,15,20,22H,4-5,14,17-19H2,1-3H3