[1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfinylmethyl)-2-[(4-chlorophenyl)methoxy]ethyl] 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfinyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid [1-(butylsulfinylmethyl)-2-(4-chlorobenzyl)oxy-ethyl] ester Formula: C34H33ClN2O4S2 MolecularWeight: 633.21982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)CC(COCC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCS(=O)CC(COCC1=CC=C(C=C1)Cl)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C34H33ClN2O4S2/c1-2-3-18-43(39)24-29(22-40-21-25-14-16-28(35)17-15-25)41-33(38)23-42-34-31(20-36)30(26-10-6-4-7-11-26)19-32(37-34)27-12-8-5-9-13-27/h4-17,19,29H,2-3,18,21-24H2,1H3