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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(dibutylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(dibutylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-(dibutylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(dibutylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(dibutylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCCN(CCCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C23H31ClN2O3S/c1-4-7-13-26(14-8-5-2)15-20(27)25-22-21(23(28)29-6-3)19(16-30-22)17-9-11-18(24)12-10-17/h9-12,16H,4-8,13-15H2,1-3H3,(H,25,27)