[(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [(2S)-1-[[2-[(2S)-butan-2-yl]-3-pyrazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [(1S)-2-keto-1-methyl-2-[[2-[(1S)-1-methylpropyl]pyrazol-3-yl]amino]ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C

Isomeric SMILES

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)OCC)C

InChI

InChI=1S/C22H27N3O5/c1-6-13(3)25-19(10-11-23-25)24-21(26)15(5)29-22(27)20-14(4)17-12-16(28-7-2)8-9-18(17)30-20/h8-13,15H,6-7H2,1-5H3,(H,24,26)/t13-,15-/m0/s1