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

Systemtic Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-(tert-butoxycarbonylamino)-3-(5-dodec-1-ynyl-2-thienyl)propyl] acetate CAS Name: acetic acid [3-acetyloxy-3-(5-dodec-1-ynyl-2-thiophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-3-(5-dodec-1-ynylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-(tert-butoxycarbonylamino)-3-(5-dodec-1-ynyl-2-thienyl)propyl] ester Formula: C28H43NO6S MolecularWeight: 521.70912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(C(COC(=O)C)NC(=O)OC(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(34-22(3)31)24(20-33-21(2)30)29-27(32)35-28(4,5)6/h18-19,24,26H,7-15,20H2,1-6H3,(H,29,32)