lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-styryl]benzoyl]amino]butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-styryl]benzoyl]amino]butyrate Formula: C27H26LiNO3S MolecularWeight: 451.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3S.Li/c1-19-8-6-7-11-22(19)24-18-21(13-12-20-9-4-3-5-10-20)14-15-23(24)26(29)28-25(27(30)31)16-17-32-2;/h3-15,18,25H,16-17H2,1-2H3,(H,28,29)(H,30,31);/q;+1/p-1/b13-12+;