[3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-2-[ethanoyl(ethyl)amino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-2-[ethanoyl(ethyl)amino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[acetyl(ethyl)amino]-3-(5-dodec-1-ynyl-2-thienyl)propyl] acetate CAS Name: acetic acid [2-[acetyl(ethyl)amino]-3-acetyloxy-3-(5-dodec-1-ynyl-2-thiophenyl)propyl] ester IUPAC Name: [2-[acetyl(ethyl)amino]-3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[acetyl(ethyl)amino]-3-(5-dodec-1-ynyl-2-thienyl)propyl] ester Formula: C27H41NO5S MolecularWeight: 491.68314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO5S/c1-6-8-9-10-11-12-13-14-15-16-17-24-18-19-26(34-24)27(33-23(5)31)25(20-32-22(4)30)28(7-2)21(3)29/h18-19,25,27H,6-15,20H2,1-5H3