lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butanoate CAS Name: lithium 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)prop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butyrate Formula: C27H27LiN2O3S MolecularWeight: 466.52088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S.Li/c1-18-7-4-5-9-22(18)24-16-20(15-19(2)21-8-6-13-28-17-21)10-11-23(24)26(30)29-25(27(31)32)12-14-33-3;/h4-11,13,15-17,25H,12,14H2,1-3H3,(H,29,30)(H,31,32);/q;+1/p-1/b19-15+;