[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H15Br2NO3S MolecularWeight: 413.1254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C(S1)Br)Br

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=C(S1)Br)Br

InChI

InChI=1S/C12H15Br2NO3S/c1-6(2)5-15-11(16)7(3)18-12(17)9-4-8(13)10(14)19-9/h4,6-7H,5H2,1-3H3,(H,15,16)/t7-/m0/s1