[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-2-phenylazanyl-furan-3-carboxylate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-anilino-4-oxo-furan-3-carboxylate CAS Name: 2-anilino-4-oxo-3-furancarboxylic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-anilino-4-oxofuran-3-carboxylate Traditional Name: 2-anilino-4-keto-furan-3-carboxylic acid [(1S)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=C(OCC1=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=C(OCC1=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O5/c1-12(17(23)21(2)10-6-9-19)26-18(24)15-14(22)11-25-16(15)20-13-7-4-3-5-8-13/h3-5,7-8,12,20H,6,10-11H2,1-2H3/t12-/m0/s1