ethyl 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotoyl]amino]benzoic acid ethyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H24N4O4S/c1-2-29-22(28)15-6-3-8-17(12-15)23-21(27)16-7-4-10-26(13-16)14-19-24-20(25-30-19)18-9-5-11-31-18/h3,5-6,8-9,11-12,16H,2,4,7,10,13-14H2,1H3,(H,23,27)