[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17BrN2O4 MolecularWeight: 393.23188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CN2)C(=O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=CN2)C(=O)C)Br

InChI

InChI=1S/C17H17BrN2O4/c1-9-4-5-14(13(18)6-9)20-16(22)11(3)24-17(23)15-7-12(8-19-15)10(2)21/h4-8,11,19H,1-3H3,(H,20,22)/t11-/m0/s1