sodium 2-[[4-[(E)-2-imidazol-1-ylethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: sodium 2-[[4-[(E)-2-imidazol-1-ylethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: sodium 2-[[4-[(E)-2-imidazol-1-ylvinyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: sodium 2-[[[4-[(E)-2-(1-imidazolyl)ethenyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: sodium 2-[[4-[(E)-2-imidazol-1-ylethenyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: sodium 2-[[4-[(E)-2-imidazol-1-ylvinyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C23H22N3NaO3S MolecularWeight: 443.49385

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)C=CN2C=CN=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)/C=C/N2C=CN=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C23H23N3O3S.Na/c1-30-14-10-21(23(28)29)25-22(27)19-8-7-17(9-12-26-13-11-24-16-26)15-20(19)18-5-3-2-4-6-18;/h2-9,11-13,15-16,21H,10,14H2,1H3,(H,25,27)(H,28,29);/q;+1/p-1/b12-9+;