[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SC)NC(=O)C2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H18N2O5S/c1-11(18-16(21)13-7-5-9-23-13)17(22)24-10-15(20)19-12-6-3-4-8-14(12)25-2/h3-9,11H,10H2,1-2H3,(H,18,21)(H,19,20)/t11-/m0/s1