(1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-phenylmethoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(benzyloxymethyl)-2-butylsulfanyl-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-(butylthio)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenylmethoxypropan-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-(benzoxymethyl)-2-(butylthio)ethyl] ester Formula: C32H32N2O3S3 MolecularWeight: 588.80308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCSCC(COCC1=CC=CC=C1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C32H32N2O3S3/c1-2-3-16-38-22-26(21-36-20-24-11-6-4-7-12-24)37-31(35)23-40-32-28(19-33)27(25-13-8-5-9-14-25)18-29(34-32)30-15-10-17-39-30/h4-15,17-18,26H,2-3,16,20-23H2,1H3