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

Systemtic Name: ethyl 2-methyl-3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 2-methyl-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 2-methyl-3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-methyl-3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotoyl]amino]benzoic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-3-30-23(29)17-8-4-9-18(15(17)2)24-22(28)16-7-5-11-27(13-16)14-20-25-21(26-31-20)19-10-6-12-32-19/h4,6,8-10,12,16H,3,5,7,11,13-14H2,1-2H3,(H,24,28)