tert-butyl 4-[(5-dodec-1-ynylthiophen-2-yl)-oxidanyl-methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-[(5-dodec-1-ynylthiophen-2-yl)-oxidanyl-methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl 4-[(5-dodec-1-ynyl-2-thienyl)-hydroxy-methyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: 4-[(5-dodec-1-ynyl-2-thiophenyl)-hydroxymethyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-dodec-1-ynylthiophen-2-yl)-hydroxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: 4-[(5-dodec-1-ynyl-2-thienyl)-hydroxy-methyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester Formula: C27H43NO4S MolecularWeight: 477.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=C(S1)C(C2COC(N2C(=O)OC(C)(C)C)(C)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=C(S1)C(C2COC(N2C(=O)OC(C)(C)C)(C)C)O

InChI

InChI=1S/C27H43NO4S/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-19-23(33-21)24(29)22-20-31-27(5,6)28(22)25(30)32-26(2,3)4/h18-19,22,24,29H,7-15,20H2,1-6H3