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

Systemtic Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]butanoate Openeye Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butanoate CAS Name: sodium 4-(methylthio)-2-[[oxo-[2-phenyl-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]methyl]amino]butanoate IUPAC Name: sodium 4-methylsulfanyl-2-[[2-phenyl-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]amino]butanoate Traditional Name: sodium 4-(methylthio)-2-[[2-phenyl-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butyrate Formula: C25H23N2NaO3S MolecularWeight: 454.51649

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)C=CC2=CN=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)/C=C/C2=CN=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H24N2O3S.Na/c1-31-15-13-23(25(29)30)27-24(28)21-12-11-18(9-10-19-6-5-14-26-17-19)16-22(21)20-7-3-2-4-8-20;/h2-12,14,16-17,23H,13,15H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1/b10-9+;