lithium 2-[[2-(2-methylphenyl)-4-(4-naphthalen-2-yl-4-oxidanylidene-butyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-(4-naphthalen-2-yl-4-oxidanylidene-butyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 4-methylsulfanyl-2-[[4-[4-(2-naphthyl)-4-oxo-butyl]-2-(o-tolyl)benzoyl]amino]butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[4-(2-naphthalenyl)-4-oxobutyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-(4-naphthalen-2-yl-4-oxobutyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[4-keto-4-(2-naphthyl)butyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C33H32LiNO4S MolecularWeight: 545.61748

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

[Li+].CC1=CC=CC=C1C2=C(C=CC(=C2)CCCC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C33H33NO4S.Li/c1-22-8-3-6-12-27(22)29-20-23(14-17-28(29)32(36)34-30(33(37)38)18-19-39-2)9-7-13-31(35)26-16-15-24-10-4-5-11-25(24)21-26;/h3-6,8,10-12,14-17,20-21,30H,7,9,13,18-19H2,1-2H3,(H,34,36)(H,37,38);/q;+1/p-1