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

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanylthiophene-2-carboxylate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-12(25-18(23)15-6-7-16(19)26-15)17(22)20-13-2-4-14(5-3-13)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)