ethyl 1-[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H25FN2O3S/c1-2-27-21(26)16-5-3-11-24(13-16)14-19(25)23-20(18-6-4-12-28-18)15-7-9-17(22)10-8-15/h4,6-10,12,16,20H,2-3,5,11,13-14H2,1H3,(H,23,25)