[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H17N3O5S/c1-12(20-17(23)14-6-4-9-25-14)18(24)26-11-16(22)21-13-5-2-3-7-15(13)27-10-8-19/h2-7,9,12H,10-11H2,1H3,(H,20,23)(H,21,22)