[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-12(23-17(22)14-8-9-15(18)24-14)16(21)20(11-5-10-19)13-6-3-2-4-7-13/h2-4,6-9,12H,5,11H2,1H3