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

Systemtic Name: ethyl 2-acetamido-3-oxidanyl-3-(5-tridec-1-ynylthiophen-2-yl)propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-(5-tridec-1-ynyl-2-thienyl)propanoate CAS Name: 2-acetamido-3-hydroxy-3-(5-tridec-1-ynyl-2-thiophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-(5-tridec-1-ynylthiophen-2-yl)propanoate Traditional Name: 2-acetamido-3-hydroxy-3-(5-tridec-1-ynyl-2-thienyl)propionic acid ethyl ester Formula: C24H37NO4S MolecularWeight: 435.61988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(30-20)23(27)22(25-19(3)26)24(28)29-5-2/h17-18,22-23,27H,4-14H2,1-3H3,(H,25,26)