ethyl 2-[(3-fluorophenyl)carbonylamino]-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-fluorophenyl)carbonylamino]-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate Traditional Name: 2-[(3-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-3-28-21(27)16-13(2)17(20(26)24-10-5-4-6-11-24)29-19(16)23-18(25)14-8-7-9-15(22)12-14/h7-9,12H,3-6,10-11H2,1-2H3,(H,23,25)