N-[1,3-bis(oxidanyl)-1-(5-tridec-1-ynylthiophen-2-yl)propan-2-yl]ethanamide

Systemtic Name: N-[1,3-bis(oxidanyl)-1-(5-tridec-1-ynylthiophen-2-yl)propan-2-yl]ethanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(5-tridec-1-ynyl-2-thienyl)ethyl]acetamide CAS Name: N-[1,3-dihydroxy-1-(5-tridec-1-ynyl-2-thiophenyl)propan-2-yl]acetamide IUPAC Name: N-[1,3-dihydroxy-1-(5-tridec-1-ynylthiophen-2-yl)propan-2-yl]acetamide Traditional Name: N-[2-hydroxy-1-methylol-2-(5-tridec-1-ynyl-2-thienyl)ethyl]acetamide Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16-21(27-19)22(26)20(17-24)23-18(2)25/h15-16,20,22,24,26H,3-12,17H2,1-2H3,(H,23,25)