ethyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,6-dimethylpiperidin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,6-dimethyl-1-piperidyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,6-dimethyl-1-piperidinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,6-dimethylpiperidino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C(CCCC3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C(CCCC3C)C

InChI

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