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

Systemtic Name: methyl 2-[[4-[(furan-2-ylmethylamino)methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(2-furylmethylamino)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(2-furanylmethylamino)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(furan-2-ylmethylamino)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(2-furfurylamino)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CNCC2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)CNCC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S/c1-30-25(29)23(12-14-32-2)27-24(28)21-11-10-18(16-26-17-20-9-6-13-31-20)15-22(21)19-7-4-3-5-8-19/h3-11,13,15,23,26H,12,14,16-17H2,1-2H3,(H,27,28)