2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(3-phenylbenzothiophen-2-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylthio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(3-phenyl-1-benzothiophen-2-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(3-phenylbenzothiophen-2-yl)methylthio]-1-pyrrolidino-ethanone Formula: C21H21NOS2 MolecularWeight: 367.52754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSCC2=C(C3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSCC2=C(C3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H21NOS2/c23-20(22-12-6-7-13-22)15-24-14-19-21(16-8-2-1-3-9-16)17-10-4-5-11-18(17)25-19/h1-5,8-11H,6-7,12-15H2