2-acetamido-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]propanedioate

Systemtic Name: 2-acetamido-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]propanedioate Openeye Name: 2-acetamido-2-[(4-dodec-1-ynyl-2-thienyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-dodec-1-ynyl-2-thiophenyl)methyl]propanedioate IUPAC Name: 2-acetamido-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(4-dodec-1-ynyl-2-thienyl)methyl]malonate Formula: C22H29NO5S-2 MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)CC(C(=O)[O-])(C(=O)[O-])NC(=O)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)CC(C(=O)[O-])(C(=O)[O-])NC(=O)C

InChI

InChI=1S/C22H31NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-19(29-16-18)15-22(20(25)26,21(27)28)23-17(2)24/h14,16H,3-11,15H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p-2