ethyl 5-(4-dodec-1-ynylthiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: ethyl 5-(4-dodec-1-ynylthiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: ethyl 5-(4-dodec-1-ynyl-2-thienyl)-2-methyl-4,5-dihydrooxazole-4-carboxylate CAS Name: 5-(4-dodec-1-ynyl-2-thiophenyl)-2-methyl-4,5-dihydrooxazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-dodec-1-ynylthiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: 5-(4-dodec-1-ynyl-2-thienyl)-2-methyl-2-oxazoline-4-carboxylic acid ethyl ester Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)C2C(N=C(O2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)C2C(N=C(O2)C)C(=O)OCC

InChI

InChI=1S/C23H33NO3S/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-20(28-17-19)22-21(23(25)26-5-2)24-18(3)27-22/h16-17,21-22H,4-13H2,1-3H3