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

Systemtic Name: methyl 2-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotoyl]amino]benzoic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O4S/c1-28-21(27)15-7-2-3-8-16(15)22-20(26)14-6-4-10-25(12-14)13-18-23-19(24-29-18)17-9-5-11-30-17/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,22,26)