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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[2-(dipropylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-(dipropylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-(dipropylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-(dipropylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-(dipropylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCCN(CCC)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C21H27ClN2O3S/c1-4-11-24(12-5-2)13-18(25)23-20-19(21(26)27-6-3)17(14-28-20)15-7-9-16(22)10-8-15/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,25)