ethyl 4-(4-chlorophenyl)-2-[2-(cyclohexylamino)ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CNC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)CNC3CCCCC3

InChI

InChI=1S/C21H25ClN2O3S/c1-2-27-21(26)19-17(14-8-10-15(22)11-9-14)13-28-20(19)24-18(25)12-23-16-6-4-3-5-7-16/h8-11,13,16,23H,2-7,12H2,1H3,(H,24,25)