methyl 2-[[4-(azidomethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(azidomethyl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(azidomethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(azidomethyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(azidomethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(azidomethyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CN=[N+]=[N-])C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CN=[N+]=[N-])C2=CC=CC=C2

InChI

InChI=1S/C20H22N4O3S/c1-27-20(26)18(10-11-28-2)23-19(25)16-9-8-14(13-22-24-21)12-17(16)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,25)