4-ethanoyl-3,5-dimethyl-N-(2-phenylsulfanylethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-ethanoyl-3,5-dimethyl-N-(2-phenylsulfanylethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-3,5-dimethyl-N-(2-phenylsulfanylethyl)-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-3,5-dimethyl-N-[2-(phenylthio)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-3,5-dimethyl-N-(2-phenylsulfanylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-3,5-dimethyl-N-[2-(phenylthio)ethyl]-1H-pyrrole-2-carboxamide Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2S/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-9-10-22-14-7-5-4-6-8-14/h4-8,19H,9-10H2,1-3H3,(H,18,21)