2-(2-hydroxyethylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(2-hydroxyethylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(2-hydroxyethylthio)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(2-hydroxyethylsulfanyl)-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(2-hydroxyethylthio)-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSCCO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSCCO

InChI

InChI=1S/C17H21NO3S/c1-12-10-16(17(20)11-22-9-8-19)13(2)18(12)14-4-6-15(21-3)7-5-14/h4-7,10,19H,8-9,11H2,1-3H3