[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H17BrN2O5 MolecularWeight: 445.26338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H17BrN2O5/c1-12-15-9-14(21)7-8-16(15)28-18(12)19(25)27-11-17(24)23-20(26)22-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,22,23,24,26)