[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CN2C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC=CN2C

InChI

InChI=1S/C17H20N2O4/c1-4-22-15-10-6-5-8-13(15)18-16(20)12(2)23-17(21)14-9-7-11-19(14)3/h5-12H,4H2,1-3H3,(H,18,20)/t12-/m0/s1