[3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-(methylcarbamoyloxy)propyl] ethanoate

Systemtic Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-(methylcarbamoyloxy)propyl] ethanoate Openeye Name: [3-acetoxy-3-(5-dodec-1-ynyl-2-thienyl)-3-(methylcarbamoyloxy)propyl] acetate CAS Name: acetic acid [3-acetyloxy-3-(5-dodec-1-ynyl-2-thiophenyl)-3-(methylcarbamoyloxy)propyl] ester IUPAC Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-(methylcarbamoyloxy)propyl] acetate Traditional Name: acetic acid [3-acetoxy-3-(5-dodec-1-ynyl-2-thienyl)-3-(methylcarbamoyloxy)propyl] ester Formula: C25H37NO6S MolecularWeight: 479.62938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(CCOC(=O)C)(OC(=O)C)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(CCOC(=O)C)(OC(=O)C)OC(=O)NC

InChI

InChI=1S/C25H37NO6S/c1-5-6-7-8-9-10-11-12-13-14-15-22-16-17-23(33-22)25(31-21(3)28,32-24(29)26-4)18-19-30-20(2)27/h16-17H,5-13,18-19H2,1-4H3,(H,26,29)