O1-acetamido O3-ethyl 2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-2-ethyl-propanedioate

Systemtic Name: O1-acetamido O3-ethyl 2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-2-ethyl-propanedioate Openeye Name: O1-acetamido O3-ethyl 2-[(4-dodec-1-ynyl-2-thienyl)methyl]-2-ethyl-propanedioate CAS Name: 2-[(4-dodec-1-ynyl-2-thiophenyl)methyl]-2-ethylpropanedioic acid O1-acetamido ester O3-ethyl ester IUPAC Name: 1-O-acetamido 3-O-ethyl 2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-2-ethylpropanedioate Traditional Name: 2-[(4-dodec-1-ynyl-2-thienyl)methyl]-2-ethyl-malonic acid O1-acetamido ester O3-ethyl ester Formula: C26H39NO5S MolecularWeight: 477.65656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)CC(CC)(C(=O)OCC)C(=O)ONC(=O)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)CC(CC)(C(=O)OCC)C(=O)ONC(=O)C

InChI

InChI=1S/C26H39NO5S/c1-5-8-9-10-11-12-13-14-15-16-17-22-18-23(33-20-22)19-26(6-2,24(29)31-7-3)25(30)32-27-21(4)28/h18,20H,5-15,19H2,1-4H3,(H,27,28)