2-[2-(4-chloranylphenoxy)ethylsulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethylsulfanyl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-chlorophenoxy)ethylsulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-chlorophenoxy)ethylthio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-chlorophenoxy)ethylsulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-chlorophenoxy)ethylthio]ethanone Formula: C18H20ClNO3S MolecularWeight: 365.8743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-11-17(13(3)21)12(2)20-18(11)16(22)10-24-9-8-23-15-6-4-14(19)5-7-15/h4-7,20H,8-10H2,1-3H3