ethyl 4-[[(4-ethylphenyl)-thiophen-2-yl-methyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(4-ethylphenyl)-thiophen-2-yl-methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(4-ethylphenyl)-(2-thienyl)methyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(4-ethylphenyl)-thiophen-2-ylmethyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-ethylphenyl)-(2-thienyl)methyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H28N2O3S/c1-3-16-7-9-17(10-8-16)20(19-6-5-15-28-19)23-21(25)18-11-13-24(14-12-18)22(26)27-4-2/h5-10,15,18,20H,3-4,11-14H2,1-2H3,(H,23,25)