2-[(3,5-dimethylphenyl)methyl]-4-oxidanyl-2-phenylmethoxycarbonyl-pyrrolidine-1-carbodithioate

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-4-oxidanyl-2-phenylmethoxycarbonyl-pyrrolidine-1-carbodithioate Openeye Name: 2-benzyloxycarbonyl-2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-pyrrolidine-1-carbodithioate CAS Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-2-phenylmethoxycarbonyl-1-pyrrolidinecarbodithioate IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-4-hydroxy-2-phenylmethoxycarbonylpyrrolidine-1-carbodithioate Traditional Name: 2-carbobenzoxy-2-(3,5-dimethylbenzyl)-4-hydroxy-pyrrolidine-1-carbodithioate Formula: C22H24NO3S2- MolecularWeight: 414.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2(CC(CN2C(=S)[S-])O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2(CC(CN2C(=S)[S-])O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO3S2/c1-15-8-16(2)10-18(9-15)11-22(12-19(24)13-23(22)21(27)28)20(25)26-14-17-6-4-3-5-7-17/h3-10,19,24H,11-14H2,1-2H3,(H,27,28)/p-1