ethyl 2-acetamido-3-oxidanyl-3-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propanoate

Systemtic Name: ethyl 2-acetamido-3-oxidanyl-3-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-[5-(6-phenylhex-1-ynyl)-2-thienyl]propanoate CAS Name: 2-acetamido-3-hydroxy-3-[5-(6-phenylhex-1-ynyl)-2-thiophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-[5-(6-phenylhex-1-ynyl)thiophen-2-yl]propanoate Traditional Name: 2-acetamido-3-hydroxy-3-[5-(6-phenylhex-1-ynyl)-2-thienyl]propionic acid ethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)C#CCCCCC2=CC=CC=C2)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)C#CCCCCC2=CC=CC=C2)O)NC(=O)C

InChI

InChI=1S/C23H27NO4S/c1-3-28-23(27)21(24-17(2)25)22(26)20-16-15-19(29-20)14-10-5-4-7-11-18-12-8-6-9-13-18/h6,8-9,12-13,15-16,21-22,26H,3-5,7,11H2,1-2H3,(H,24,25)