[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=C(SC(=C1)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C13H12BrN3O3S/c14-11-4-3-10(21-11)13(19)20-9-12(18)17(7-1-5-15)8-2-6-16/h3-4H,1-2,7-9H2