[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H18BrNO3S/c1-3-12-4-6-13(7-5-12)11(2)19-16(20)10-22-17(21)14-8-9-15(18)23-14/h4-9,11H,3,10H2,1-2H3,(H,19,20)