lithium 2-[[4-[(E)-2-[6-(2-chloranylphenoxy)pyridin-3-yl]ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[4-[(E)-2-[6-(2-chloranylphenoxy)pyridin-3-yl]ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[(E)-2-[6-(2-chlorophenoxy)-3-pyridyl]vinyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[(E)-2-[6-(2-chlorophenoxy)-3-pyridinyl]ethenyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[(E)-2-[6-(2-chlorophenoxy)pyridin-3-yl]ethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[(E)-2-[6-(2-chlorophenoxy)-3-pyridyl]vinyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C32H28ClLiN2O4S MolecularWeight: 579.03472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=C(C=C3)OC4=CC=CC=C4Cl)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=C(C=C3)OC4=CC=CC=C4Cl)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C32H29ClN2O4S.Li/c1-21-7-3-4-8-24(21)26-19-22(13-15-25(26)31(36)35-28(32(37)38)17-18-40-2)11-12-23-14-16-30(34-20-23)39-29-10-6-5-9-27(29)33;/h3-16,19-20,28H,17-18H2,1-2H3,(H,35,36)(H,37,38);/q;+1/p-1/b12-11+;