(6-phenylsulfanylpyridin-2-yl)methyl 3-methyl-2-naphthalen-2-yl-butanoate

Systemtic Name: (6-phenylsulfanylpyridin-2-yl)methyl 3-methyl-2-naphthalen-2-yl-butanoate Openeye Name: (6-phenylsulfanyl-2-pyridyl)methyl 3-methyl-2-(2-naphthyl)butanoate CAS Name: 3-methyl-2-(2-naphthalenyl)butanoic acid [6-(phenylthio)-2-pyridinyl]methyl ester IUPAC Name: (6-phenylsulfanylpyridin-2-yl)methyl 3-methyl-2-naphthalen-2-ylbutanoate Traditional Name: 3-methyl-2-(2-naphthyl)butyric acid [6-(phenylthio)-2-pyridyl]methyl ester Formula: C27H25NO2S MolecularWeight: 427.5579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO2S/c1-19(2)26(22-16-15-20-9-6-7-10-21(20)17-22)27(29)30-18-23-11-8-14-25(28-23)31-24-12-4-3-5-13-24/h3-17,19,26H,18H2,1-2H3