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

Systemtic Name: ethyl 2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2E,4E)-1-oxohexa-2,4-dienoxy]propyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxypropanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(2E,4E)-hexa-2,4-dienoyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C=CC=CC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-4-6-8-13-19(24)28-15(3)20(25)23-21-17(22(26)27-5-2)14-18(29-21)16-11-9-7-10-12-16/h4,6-15H,5H2,1-3H3,(H,23,25)/b6-4+,13-8+