[2-azanyl-1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propyl] ethanoate

Systemtic Name: [2-azanyl-1-(5-dodec-1-ynylthiophen-2-yl)-1,3-bis(oxidanyl)propyl] ethanoate Openeye Name: [2-amino-1-(5-dodec-1-ynyl-2-thienyl)-1,3-dihydroxy-propyl] acetate CAS Name: acetic acid [2-amino-1-(5-dodec-1-ynyl-2-thiophenyl)-1,3-dihydroxypropyl] ester IUPAC Name: [2-amino-1-(5-dodec-1-ynylthiophen-2-yl)-1,3-dihydroxypropyl] acetate Traditional Name: acetic acid [2-amino-1-(5-dodec-1-ynyl-2-thienyl)-1,3-dihydroxy-propyl] ester Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-20(27-18)21(25,19(22)16-23)26-17(2)24/h14-15,19,23,25H,3-11,16,22H2,1-2H3