methyl 3-[[(3S)-1-(4-fluorophenyl)carbonylpiperidin-3-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(3S)-1-(4-fluorophenyl)carbonylpiperidin-3-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(3S)-1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[(3S)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[(3S)-1-(4-fluorobenzoyl)nipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN2O4S/c1-26-19(25)16-15(8-10-27-16)21-17(23)13-3-2-9-22(11-13)18(24)12-4-6-14(20)7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H,21,23)/t13-/m0/s1