tert-butyl-[1,3-diacetyloxy-1-(5-dodec-1-ynylthiophen-2-yl)propan-2-yl]carbamic acid

Systemtic Name: tert-butyl-[1,3-diacetyloxy-1-(5-dodec-1-ynylthiophen-2-yl)propan-2-yl]carbamic acid Openeye Name: [2-acetoxy-1-(acetoxymethyl)-2-(5-dodec-1-ynyl-2-thienyl)ethyl]-tert-butyl-carbamic acid CAS Name: tert-butyl-[1,3-diacetyloxy-1-(5-dodec-1-ynyl-2-thiophenyl)propan-2-yl]carbamic acid IUPAC Name: tert-butyl-[1,3-diacetyloxy-1-(5-dodec-1-ynylthiophen-2-yl)propan-2-yl]carbamic acid Traditional Name: [2-acetoxy-1-(acetoxymethyl)-2-(5-dodec-1-ynyl-2-thienyl)ethyl]-tert-butyl-carbamic acid Formula: C28H43NO6S MolecularWeight: 521.70912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43NO6S/c1-7-8-9-10-11-12-13-14-15-16-17-23-18-19-25(36-23)26(35-22(3)31)24(20-34-21(2)30)29(27(32)33)28(4,5)6/h18-19,24,26H,7-15,20H2,1-6H3,(H,32,33)