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

Systemtic Name: (1-butylsulfinyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-phenoxy-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-phenoxypropan-2-yl) ester IUPAC Name: (1-butylsulfinyl-3-phenoxypropan-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-phenoxy-ethyl] ester Formula: C31H30N2O4S3 MolecularWeight: 590.7759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O4S3/c1-2-3-17-40(35)22-25(20-36-24-13-8-5-9-14-24)37-30(34)21-39-31-27(19-32)26(23-11-6-4-7-12-23)18-28(33-31)29-15-10-16-38-29/h4-16,18,25H,2-3,17,20-22H2,1H3