methyl 2-[[4-[3-(1H-imidazol-5-yl)-3-oxidanylidene-prop-1-ynyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[3-(1H-imidazol-5-yl)-3-oxidanylidene-prop-1-ynyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[3-(1H-imidazol-5-yl)-3-oxo-prop-1-ynyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[3-(1H-imidazol-5-yl)-3-oxoprop-1-ynyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(1H-imidazol-5-yl)-3-oxoprop-1-ynyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[3-(1H-imidazol-5-yl)-3-keto-prop-1-ynyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC(=O)C2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC(=O)C2=CN=CN2)C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O4S/c1-32-25(31)21(12-13-33-2)28-24(30)19-10-8-17(9-11-23(29)22-15-26-16-27-22)14-20(19)18-6-4-3-5-7-18/h3-8,10,14-16,21H,12-13H2,1-2H3,(H,26,27)(H,28,30)