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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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