methyl 3-[2-[3-(3-thiophen-2-ylpropanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(3-thiophen-2-ylpropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(2-thienyl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(1-oxo-3-thiophen-2-ylpropyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(3-thiophen-2-ylpropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(2-thienyl)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CC=CS3

InChI

InChI=1S/C23H19NO3S/c1-27-23(26)19-7-2-5-17(15-19)10-11-18-6-3-8-20(16-18)24-22(25)13-12-21-9-4-14-28-21/h2-9,14-16H,12-13H2,1H3,(H,24,25)