methyl 2-fluoranyl-5-[(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[(1-thiophen-2-ylcarbonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-fluoro-5-[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-fluoro-5-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-fluoro-5-[[1-(2-thenoyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)F

InChI

InChI=1S/C19H19FN2O4S/c1-26-19(25)14-10-13(6-7-15(14)20)21-17(23)12-4-2-8-22(11-12)18(24)16-5-3-9-27-16/h3,5-7,9-10,12H,2,4,8,11H2,1H3,(H,21,23)