5-(2-methylpropyl)-1-[(4-phenoxyphenyl)methyl]-4-sulfanyl-pyrrolidin-2-one

Systemtic Name: 5-(2-methylpropyl)-1-[(4-phenoxyphenyl)methyl]-4-sulfanyl-pyrrolidin-2-one Openeye Name: 5-isobutyl-1-[(4-phenoxyphenyl)methyl]-4-sulfanyl-pyrrolidin-2-one CAS Name: 4-mercapto-5-(2-methylpropyl)-1-[(4-phenoxyphenyl)methyl]-2-pyrrolidinone IUPAC Name: 5-(2-methylpropyl)-1-[(4-phenoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one Traditional Name: 5-isobutyl-4-mercapto-1-(4-phenoxybenzyl)-2-pyrrolidone Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C21H25NO2S/c1-15(2)12-19-20(25)13-21(23)22(19)14-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,15,19-20,25H,12-14H2,1-2H3