[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC=C(S1)Br

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C14H17BrN2O3S/c1-8(2)14(4,7-16)17-12(18)9(3)20-13(19)10-5-6-11(15)21-10/h5-6,8-9H,1-4H3,(H,17,18)