1'-(2-methyl-2-phenylsulfanyl-propanoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

Systemtic Name: 1'-(2-methyl-2-phenylsulfanyl-propanoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one Openeye Name: 1'-(2-methyl-2-phenylsulfanyl-propanoyl)spiro[isobenzofuran-3,3'-pyrrolidine]-1-one CAS Name: 1'-[2-methyl-1-oxo-2-(phenylthio)propyl]-1-spiro[isobenzofuran-3,3'-pyrrolidine]one IUPAC Name: 1'-(2-methyl-2-phenylsulfanylpropanoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one Traditional Name: 1'-[2-methyl-2-(phenylthio)propanoyl]spiro[phthalan-3,3'-pyrrolidine]-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC2(C1)C3=CC=CC=C3C(=O)O2)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)N1CCC2(C1)C3=CC=CC=C3C(=O)O2)SC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3S/c1-20(2,26-15-8-4-3-5-9-15)19(24)22-13-12-21(14-22)17-11-7-6-10-16(17)18(23)25-21/h3-11H,12-14H2,1-2H3