lithium 2-[[4-[(1-cyclohexyl-3-ethylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-[(1-cyclohexyl-3-ethylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[[1-(cyclohexylmethyl)-2-ethylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[[1-cyclohexyl-3-(ethylthio)propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[(1-cyclohexyl-3-ethylsulfanylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[[1-(cyclohexylmethyl)-2-(ethylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C31H42LiNO4S2 MolecularWeight: 563.74048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCSCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3C

Isomeric SMILES

[Li+].CCSCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3C

InChI

InChI=1S/C31H43NO4S2.Li/c1-4-38-21-25(18-23-11-6-5-7-12-23)36-20-24-14-15-27(28(19-24)26-13-9-8-10-22(26)2)30(33)32-29(31(34)35)16-17-37-3;/h8-10,13-15,19,23,25,29H,4-7,11-12,16-18,20-21H2,1-3H3,(H,32,33)(H,34,35);/q;+1/p-1