ethyl 2-acetamido-3-oxidanyl-3-(5-undec-1-ynylthiophen-2-yl)propanoate

Systemtic Name: ethyl 2-acetamido-3-oxidanyl-3-(5-undec-1-ynylthiophen-2-yl)propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-(5-undec-1-ynyl-2-thienyl)propanoate CAS Name: 2-acetamido-3-hydroxy-3-(5-undec-1-ynyl-2-thiophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-(5-undec-1-ynylthiophen-2-yl)propanoate Traditional Name: 2-acetamido-3-hydroxy-3-(5-undec-1-ynyl-2-thienyl)propionic acid ethyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC1=CC=C(S1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCC#CC1=CC=C(S1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C22H33NO4S/c1-4-6-7-8-9-10-11-12-13-14-18-15-16-19(28-18)21(25)20(23-17(3)24)22(26)27-5-2/h15-16,20-21,25H,4-12H2,1-3H3,(H,23,24)