2-phenyl-1-(5-thiomorpholin-4-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-phenyl-1-(5-thiomorpholin-4-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo(thiomorpholin-4-yl)methyl]-1H-pyrrol-3-yl]-2-phenylethanone IUPAC Name: 2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C2=CC(=CN2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CSCCN1C(=O)C2=CC(=CN2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2S/c20-16(10-13-4-2-1-3-5-13)14-11-15(18-12-14)17(21)19-6-8-22-9-7-19/h1-5,11-12,18H,6-10H2