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

Systemtic Name: methyl 3-[2-[3-(2-thiophen-2-ylethanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(2-thienyl)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(2-thienyl)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C22H17NO3S/c1-26-22(25)18-7-2-5-16(13-18)10-11-17-6-3-8-19(14-17)23-21(24)15-20-9-4-12-27-20/h2-9,12-14H,15H2,1H3,(H,23,24)