methyl 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[2-(1-imidazolyl)ethoxy]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2-imidazol-1-ylethoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OCCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)OCCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-30-24(29)22(10-15-32-2)26-23(28)20-9-8-19(31-14-13-27-12-11-25-17-27)16-21(20)18-6-4-3-5-7-18/h3-9,11-12,16-17,22H,10,13-15H2,1-2H3,(H,26,28)