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

Systemtic Name: ethyl 2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2E,4E)-1-oxohexa-2,4-dienoxy]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-3-5-7-12-18(24)27-13-17(23)22-20-19(21(25)26-4-2)16(14-28-20)15-10-8-6-9-11-15/h3,5-12,14H,4,13H2,1-2H3,(H,22,23)/b5-3+,12-7+