(1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (1-butylsulfanyl-3-phenoxy-propan-2-yl) 2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: [1-(butylsulfanylmethyl)-2-phenoxy-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-phenoxypropan-2-yl] ester IUPAC Name: (1-butylsulfanyl-3-phenoxypropan-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-phenoxy-ethyl] ester Formula: C31H30N2O3S3 MolecularWeight: 574.7765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O3S3/c1-2-3-16-37-21-25(20-35-24-13-8-5-9-14-24)36-30(34)22-39-31-27(19-32)26(23-11-6-4-7-12-23)18-28(33-31)29-15-10-17-38-29/h4-15,17-18,25H,2-3,16,20-22H2,1H3