[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NC(=O)C2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)SC)NC(=O)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H20N2O6S/c1-11(20-18(24)16-5-4-8-26-16)19(25)27-10-15(23)13-6-7-17(28-3)14(9-13)21-12(2)22/h4-9,11H,10H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1