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

Systemtic Name: [1-butylsulfonyl-3-(4-chloranylphenoxy)propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfonylmethyl)-2-(4-chlorophenoxy)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-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-butylsulfonyl-3-(4-chlorophenoxy)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-chlorophenoxy)ethyl] ester Formula: C31H29ClN2O5S3 MolecularWeight: 641.22036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29ClN2O5S3/c1-2-3-16-42(36,37)21-25(19-38-24-13-11-23(32)12-14-24)39-30(35)20-41-31-27(18-33)26(22-8-5-4-6-9-22)17-28(34-31)29-10-7-15-40-29/h4-15,17,25H,2-3,16,19-21H2,1H3