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

Systemtic Name: [2-[[4-(2-morpholin-4-ylethanoylamino)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-[4-[(2-morpholinoacetyl)amino]anilino]-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-keto-2-[4-[(2-morpholinoacetyl)amino]anilino]ethyl] ester Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1COCCN1CC(=O)NC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H20BrN3O5S/c20-16-6-5-15(29-16)19(26)28-12-18(25)22-14-3-1-13(2-4-14)21-17(24)11-23-7-9-27-10-8-23/h1-6H,7-12H2,(H,21,24)(H,22,25)