3-acetamidooxy-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-acetamidooxy-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-acetamidooxy-2-[(4-dodec-1-ynyl-2-thienyl)methyl]-3-oxo-propanoic acid CAS Name: 3-acetamidooxy-2-[(4-dodec-1-ynyl-2-thiophenyl)methyl]-3-oxopropanoic acid IUPAC Name: 3-acetamidooxy-2-[(4-dodec-1-ynylthiophen-2-yl)methyl]-3-oxopropanoic acid Traditional Name: 3-acetamidooxy-2-[(4-dodec-1-ynyl-2-thienyl)methyl]-3-keto-propionic acid Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)CC(C(=O)O)C(=O)ONC(=O)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)CC(C(=O)O)C(=O)ONC(=O)C

InChI

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