3-[2-azido-3-(4-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoyl]-4-(phenylmethyl)-1,3-oxazolidin-2-one

Systemtic Name: 3-[2-azido-3-(4-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoyl]-4-(phenylmethyl)-1,3-oxazolidin-2-one Openeye Name: 3-[2-azido-3-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-propanoyl]-4-benzyl-oxazolidin-2-one CAS Name: 3-[2-azido-3-(4-dodec-1-ynyl-2-thiophenyl)-3-hydroxy-1-oxopropyl]-4-(phenylmethyl)-2-oxazolidinone IUPAC Name: 3-[2-azido-3-(4-dodec-1-ynylthiophen-2-yl)-3-hydroxypropanoyl]-4-benzyl-1,3-oxazolidin-2-one Traditional Name: 3-[2-azido-3-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-propanoyl]-4-benzyl-oxazolidin-2-one Formula: C29H36N4O4S MolecularWeight: 536.68554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)C(C(C(=O)N2C(COC2=O)CC3=CC=CC=C3)N=[N+]=[N-])O

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)C(C(C(=O)N2C(COC2=O)CC3=CC=CC=C3)N=[N+]=[N-])O

InChI

InChI=1S/C29H36N4O4S/c1-2-3-4-5-6-7-8-9-10-12-17-23-19-25(38-21-23)27(34)26(31-32-30)28(35)33-24(20-37-29(33)36)18-22-15-13-11-14-16-22/h11,13-16,19,21,24,26-27,34H,2-10,18,20H2,1H3