methyl 2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[2-(1H-imidazol-2-yl)ethynyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC2=NC=CN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C#CC2=NC=CN2)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O3S/c1-30-24(29)21(12-15-31-2)27-23(28)19-10-8-17(9-11-22-25-13-14-26-22)16-20(19)18-6-4-3-5-7-18/h3-8,10,13-14,16,21H,12,15H2,1-2H3,(H,25,26)(H,27,28)