2,2-dimethyl-1-[3-(phenylmethyl)-2-[2-(3-sulfanylpropylsulfanyl)ethanoyl]pyrrolidin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[3-(phenylmethyl)-2-[2-(3-sulfanylpropylsulfanyl)ethanoyl]pyrrolidin-1-yl]propan-1-one Openeye Name: 1-[3-benzyl-2-[2-(3-sulfanylpropylsulfanyl)acetyl]pyrrolidin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[2-[2-(3-mercaptopropylthio)-1-oxoethyl]-3-(phenylmethyl)-1-pyrrolidinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-benzyl-2-[2-(3-sulfanylpropylsulfanyl)acetyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-benzyl-2-[2-(3-mercaptopropylthio)acetyl]pyrrolidino]-2,2-dimethyl-propan-1-one Formula: C21H31NO2S2 MolecularWeight: 393.60634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(C1C(=O)CSCCCS)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(C1C(=O)CSCCCS)CC2=CC=CC=C2

InChI

InChI=1S/C21H31NO2S2/c1-21(2,3)20(24)22-11-10-17(14-16-8-5-4-6-9-16)19(22)18(23)15-26-13-7-12-25/h4-6,8-9,17,19,25H,7,10-15H2,1-3H3