[3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] ethanoate Openeye Name: [3-acetoxy-3-[tert-butoxycarbonyl(methyl)amino]-3-(5-dodec-1-ynyl-2-thienyl)propyl] acetate CAS Name: acetic acid [3-acetyloxy-3-(5-dodec-1-ynyl-2-thiophenyl)-3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-3-[tert-butoxycarbonyl(methyl)amino]-3-(5-dodec-1-ynyl-2-thienyl)propyl] ester Formula: C29H45NO6S MolecularWeight: 535.7357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO6S/c1-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26(37-25)29(35-24(3)32,21-22-34-23(2)31)30(7)27(33)36-28(4,5)6/h19-20H,8-16,21-22H2,1-7H3