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

Systemtic Name: methyl 3-[2-[3-[(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[1-(2-thenoyl)nipecotoyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H24N2O4S/c1-33-27(32)21-8-2-6-19(16-21)12-13-20-7-3-10-23(17-20)28-25(30)22-9-4-14-29(18-22)26(31)24-11-5-15-34-24/h2-3,5-8,10-11,15-17,22H,4,9,14,18H2,1H3,(H,28,30)