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

Systemtic Name: methyl (2S)-2-[[4-(furan-2-ylcarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(furan-2-carbonylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(2-furoylamino)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20N2O5S/c1-24-18(23)14(9-11-26-2)20-16(21)12-5-7-13(8-6-12)19-17(22)15-4-3-10-25-15/h3-8,10,14H,9,11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1