ethyl 4-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperidin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperidin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[[2-(4-methyl-1-piperidyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-[[2-(4-methylpiperidino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CN3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CN3CCC(CC3)C

InChI

InChI=1S/C22H27ClN2O3S/c1-4-28-22(27)20-19(16-5-7-17(23)8-6-16)15(3)29-21(20)24-18(26)13-25-11-9-14(2)10-12-25/h5-8,14H,4,9-13H2,1-3H3,(H,24,26)