(6-phenylsulfanylpyridin-2-yl)methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: (6-phenylsulfanylpyridin-2-yl)methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-phenylsulfanyl-2-pyridyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid [6-(phenylthio)-2-pyridinyl]methyl ester IUPAC Name: (6-phenylsulfanylpyridin-2-yl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid [6-(phenylthio)-2-pyridyl]methyl ester Formula: C25H22ClNO2S2 MolecularWeight: 468.03068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=NC(=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)Cl)C(=O)OCC3=NC(=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H22ClNO2S2/c1-16(2)23(24-21-12-11-18(26)13-17(21)15-30-24)25(28)29-14-19-7-6-10-22(27-19)31-20-8-4-3-5-9-20/h3-13,15-16,23H,14H2,1-2H3