sodium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: sodium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: sodium 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butanoate CAS Name: sodium 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: sodium 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: sodium 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butyrate Formula: C26H25N2NaO3S MolecularWeight: 468.54307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O3S.Na/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)25(29)28-24(26(30)31)13-15-32-2;/h3-12,14,16-17,24H,13,15H2,1-2H3,(H,28,29)(H,30,31);/q;+1/p-1/b10-9+;