[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C16H15Br2NO5S MolecularWeight: 493.167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(S2)Br)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(S2)Br)Br)OC

InChI

InChI=1S/C16H15Br2NO5S/c1-22-11-4-3-9(5-12(11)23-2)7-19-14(20)8-24-16(21)13-6-10(17)15(18)25-13/h3-6H,7-8H2,1-2H3,(H,19,20)