1-[5-(2-chlorophenyl)carbonyl-1-(2-methylsulfanylethyl)pyrrol-3-yl]-2-(diethylamino)ethanone

Systemtic Name: 1-[5-(2-chlorophenyl)carbonyl-1-(2-methylsulfanylethyl)pyrrol-3-yl]-2-(diethylamino)ethanone Openeye Name: 1-[5-(2-chlorobenzoyl)-1-(2-methylsulfanylethyl)pyrrol-3-yl]-2-(diethylamino)ethanone CAS Name: 1-[5-[(2-chlorophenyl)-oxomethyl]-1-[2-(methylthio)ethyl]-3-pyrrolyl]-2-(diethylamino)ethanone IUPAC Name: 1-[5-(2-chlorobenzoyl)-1-(2-methylsulfanylethyl)pyrrol-3-yl]-2-(diethylamino)ethanone Traditional Name: 1-[5-(2-chlorobenzoyl)-1-[2-(methylthio)ethyl]pyrrol-3-yl]-2-(diethylamino)ethanone Formula: C20H25ClN2O2S MolecularWeight: 392.9427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)C1=CN(C(=C1)C(=O)C2=CC=CC=C2Cl)CCSC

Isomeric SMILES

CCN(CC)CC(=O)C1=CN(C(=C1)C(=O)C2=CC=CC=C2Cl)CCSC

InChI

InChI=1S/C20H25ClN2O2S/c1-4-22(5-2)14-19(24)15-12-18(23(13-15)10-11-26-3)20(25)16-8-6-7-9-17(16)21/h6-9,12-13H,4-5,10-11,14H2,1-3H3