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

Systemtic Name: [1-butylsulfanyl-3-[(4-chlorophenyl)methoxy]propan-2-yl] 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-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-(butylthio)-3-[(4-chlorophenyl)methoxy]propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-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-[(butylthio)methyl]-2-(4-chlorobenzyl)oxy-ethyl] ester Formula: C32H31ClN2O3S3 MolecularWeight: 623.24814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCSCC(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/C32H31ClN2O3S3/c1-2-3-15-39-21-26(20-37-19-23-11-13-25(33)14-12-23)38-31(36)22-41-32-28(18-34)27(24-8-5-4-6-9-24)17-29(35-32)30-10-7-16-40-30/h4-14,16-17,26H,2-3,15,19-22H2,1H3