[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H20BrNO5S/c1-12(19(24)21-11-14-4-3-9-27-14)26-18(23)8-6-16(22)15-10-13(20)5-7-17(15)25-2/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H,21,24)