[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-yl)propanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(furan-2-yl)propanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-furyl)propanoate CAS Name: 3-(2-furanyl)propanoic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 3-(furan-2-yl)propanoate Traditional Name: 3-(2-furyl)propionic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CC=CO2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=CO2)Br

InChI

InChI=1S/C17H18BrNO4/c1-11-5-7-15(14(18)10-11)19-17(21)12(2)23-16(20)8-6-13-4-3-9-22-13/h3-5,7,9-10,12H,6,8H2,1-2H3,(H,19,21)/t12-/m0/s1