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

Systemtic Name: lithium 2-[[4-[(E)-2-isocyano-2-pyridin-3-yl-ethenyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: lithium 2-[[4-[(E)-2-isocyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: lithium 2-[[[4-[(E)-2-isocyano-2-(3-pyridinyl)ethenyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: lithium 2-[[4-[(E)-2-isocyano-2-pyridin-3-ylethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: lithium 2-[[4-[(E)-2-isocyano-2-(3-pyridyl)vinyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C27H24LiN3O3S MolecularWeight: 477.50376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S.Li/c1-18-7-4-5-9-21(18)23-15-19(16-25(28-2)20-8-6-13-29-17-20)10-11-22(23)26(31)30-24(27(32)33)12-14-34-3;/h4-11,13,15-17,24H,12,14H2,1,3H3,(H,30,31)(H,32,33);/q;+1/p-1/b25-16+;