methyl 4-methylsulfanyl-2-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]-2-phenyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[2-oxo-2-(2-pyridylamino)ethyl]-2-phenyl-benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[2-oxo-2-(2-pyridinylamino)ethyl]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-2-phenylbenzoyl]amino]butanoate Traditional Name: 2-[[4-[2-keto-2-(2-pyridylamino)ethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CC(=O)NC2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CC(=O)NC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-33-26(32)22(13-15-34-2)28-25(31)20-12-11-18(16-21(20)19-8-4-3-5-9-19)17-24(30)29-23-10-6-7-14-27-23/h3-12,14,16,22H,13,15,17H2,1-2H3,(H,28,31)(H,27,29,30)