[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H21BrN2O3S/c1-13(25-19(24)16-9-10-17(20)26-16)18(23)21-14-5-7-15(8-6-14)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)