[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-4-(methylthio)butyric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-13(23)14-5-7-15(8-6-14)21-18(24)12-28-20(26)16(9-11-29-2)22-19(25)17-4-3-10-27-17/h3-8,10,16H,9,11-12H2,1-2H3,(H,21,24)(H,22,25)/t16-/m0/s1