[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H11BrN2O3S/c16-13-6-5-12(22-13)15(20)21-9-14(19)18-11-3-1-10(2-4-11)7-8-17/h1-6H,7,9H2,(H,18,19)