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

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-(4-methylpiperidin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[[2-(4-methyl-1-piperidyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[[2-(4-methylpiperidino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C

InChI

InChI=1S/C21H25ClN2O3S/c1-3-27-21(26)20-17(12-18(28-20)15-4-6-16(22)7-5-15)23-19(25)13-24-10-8-14(2)9-11-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,23,25)