2-[2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1-oxidanyl-2,3-dihydroinden-1-yl]ethanoate

Systemtic Name: 2-[2-methyl-3-[(4-methylsulfanylphenyl)methyl]-1-oxidanyl-2,3-dihydroinden-1-yl]ethanoate Openeye Name: 2-[1-hydroxy-2-methyl-3-[(4-methylsulfanylphenyl)methyl]indan-1-yl]acetate CAS Name: 2-[1-hydroxy-2-methyl-3-[[4-(methylthio)phenyl]methyl]-2,3-dihydroinden-1-yl]acetate IUPAC Name: 2-[1-hydroxy-2-methyl-3-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroinden-1-yl]acetate Traditional Name: 2-[1-hydroxy-2-methyl-3-[4-(methylthio)benzyl]indan-1-yl]acetate Formula: C20H21O3S- MolecularWeight: 341.44394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2C1(CC(=O)[O-])O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1C(C2=CC=CC=C2C1(CC(=O)[O-])O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22O3S/c1-13-17(11-14-7-9-15(24-2)10-8-14)16-5-3-4-6-18(16)20(13,23)12-19(21)22/h3-10,13,17,23H,11-12H2,1-2H3,(H,21,22)/p-1