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

Systemtic Name: methyl 4-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)C2CCCN(C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-28-21(27)14-6-8-16(9-7-14)22-20(26)15-4-2-10-25(12-15)13-18-23-19(24-29-18)17-5-3-11-30-17/h3,5-9,11,15H,2,4,10,12-13H2,1H3,(H,22,26)