ethyl 5-bromanyl-2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[1-oxo-2-[(2E,4E)-1-oxohexa-2,4-dienoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C=CC=CC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)/C=C/C=C/C

InChI

InChI=1S/C21H20BrNO5S/c1-3-5-7-12-16(25)28-13-15(24)23-20-18(21(26)27-4-2)17(19(22)29-20)14-10-8-6-9-11-14/h3,5-12H,4,13H2,1-2H3,(H,23,24)/b5-3+,12-7+