[(1S)-1-cyanoethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [(1S)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [(1S)-1-cyanoethyl] ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C#N)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C16H14N2O4/c1-10-5-6-12(16(20)22-11(2)9-17)8-13(10)18-15(19)14-4-3-7-21-14/h3-8,11H,1-2H3,(H,18,19)/t11-/m0/s1