ethyl 2-acetamido-3-(5-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(5-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(5-dodec-1-ynyl-2-thienyl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(5-dodec-1-ynyl-2-thiophenyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(5-dodec-1-ynylthiophen-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(5-dodec-1-ynyl-2-thienyl)-3-hydroxy-propionic acid ethyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C23H35NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-17-20(29-19)22(26)21(24-18(3)25)23(27)28-5-2/h16-17,21-22,26H,4-13H2,1-3H3,(H,24,25)