[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C12H15Br2NO3S MolecularWeight: 413.1254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=C(S1)Br)Br

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=C(S1)Br)Br

InChI

InChI=1S/C12H15Br2NO3S/c1-7(2)3-4-15-10(16)6-18-12(17)9-5-8(13)11(14)19-9/h5,7H,3-4,6H2,1-2H3,(H,15,16)