methyl 3-[2-[3-(4-thiophen-2-ylbutanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(4-thiophen-2-ylbutanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[4-(2-thienyl)butanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(1-oxo-4-thiophen-2-ylbutyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-thiophen-2-ylbutanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[4-(2-thienyl)butanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C24H21NO3S/c1-28-24(27)20-8-2-6-18(16-20)13-14-19-7-3-9-21(17-19)25-23(26)12-4-10-22-11-5-15-29-22/h2-3,5-9,11,15-17H,4,10,12H2,1H3,(H,25,26)