(1-butylsulfanyl-3-methoxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-methoxy-propan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-methoxy-ethyl] 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid [1-(butylthio)-3-methoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-methoxypropan-2-yl) 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetic acid [1-[(butylthio)methyl]-2-methoxy-ethyl] ester Formula: C29H32N2O3S2 MolecularWeight: 520.70598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3S2/c1-4-5-15-35-19-24(18-33-3)34-28(32)20-36-29-26(17-30)25(22-9-7-6-8-10-22)16-27(31-29)23-13-11-21(2)12-14-23/h6-14,16,24H,4-5,15,18-20H2,1-3H3