methyl 3-[2-[3-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[1-(2-thenoyl)prolyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C26H22N2O4S/c1-32-26(31)20-8-2-6-18(16-20)12-13-19-7-3-9-21(17-19)27-24(29)22-10-4-14-28(22)25(30)23-11-5-15-33-23/h2-3,5-9,11,15-17,22H,4,10,14H2,1H3,(H,27,29)