methyl 3-[2-[3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[3-acetamido-3-(2-thienyl)propanoyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C25H22N2O4S/c1-17(28)26-22(23-10-5-13-32-23)16-24(29)27-21-9-4-7-19(15-21)12-11-18-6-3-8-20(14-18)25(30)31-2/h3-10,13-15,22H,16H2,1-2H3,(H,26,28)(H,27,29)