tert-butyl N-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-(5-dodec-1-ynyl-2-thienyl)-1,3-dihydroxy-propyl]-N-methyl-carbamate CAS Name: N-[1-(5-dodec-1-ynyl-2-thiophenyl)-1,3-dihydroxypropyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(5-dodec-1-ynylthiophen-2-yl)-1,3-dihydroxypropyl]-N-methylcarbamate Traditional Name: N-[1-(5-dodec-1-ynyl-2-thienyl)-1,3-dihydroxy-propyl]-N-methyl-carbamic acid tert-butyl ester Formula: C25H41NO4S MolecularWeight: 451.66234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(CCO)(N(C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(CCO)(N(C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H41NO4S/c1-6-7-8-9-10-11-12-13-14-15-16-21-17-18-22(31-21)25(29,19-20-27)26(5)23(28)30-24(2,3)4/h17-18,27,29H,6-14,19-20H2,1-5H3