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

Systemtic Name: methyl 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]isonipecotoyl]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=C1)NC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

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