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

Systemtic Name: methyl 3-[2-[3-(3-thiophen-3-ylpropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(3-thienyl)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-3-(3-thiophenyl)propyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(3-thiophen-3-ylpropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(3-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=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCC3=CSC=C3

InChI

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