[1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: [1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-[(4-chlorophenyl)methoxy]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-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-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-(butylsulfonylmethyl)-2-(4-chlorobenzyl)oxy-ethyl] ester Formula: C32H31ClN2O5S3 MolecularWeight: 655.24694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31ClN2O5S3/c1-2-3-16-43(37,38)22-26(20-39-19-23-11-13-25(33)14-12-23)40-31(36)21-42-32-28(18-34)27(24-8-5-4-6-9-24)17-29(35-32)30-10-7-15-41-30/h4-15,17,26H,2-3,16,19-22H2,1H3