ethyl 2-acetamido-3-(4-dodec-1-ynyl-1,3-thiazol-2-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-(4-dodec-1-ynyl-1,3-thiazol-2-yl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-(4-dodec-1-ynylthiazol-2-yl)-3-hydroxy-propanoate CAS Name: 2-acetamido-3-(4-dodec-1-ynyl-2-thiazolyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(4-dodec-1-ynyl-1,3-thiazol-2-yl)-3-hydroxypropanoate Traditional Name: 2-acetamido-3-(4-dodec-1-ynylthiazol-2-yl)-3-hydroxy-propionic acid ethyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=N1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=N1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C22H34N2O4S/c1-4-6-7-8-9-10-11-12-13-14-15-18-16-29-21(24-18)20(26)19(23-17(3)25)22(27)28-5-2/h16,19-20,26H,4-13H2,1-3H3,(H,23,25)