methyl (2S,4R)-1-(cyclohexylcarbamothioyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(cyclohexylcarbamothioyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-(cyclohexylcarbamothioyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(cyclohexylamino)-sulfanylidenemethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(cyclohexylcarbamothioyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(cyclohexylthiocarbamoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=S)NC2CCCCC2)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C(=S)NC2CCCCC2)O

InChI

InChI=1S/C13H22N2O3S/c1-18-12(17)11-7-10(16)8-15(11)13(19)14-9-5-3-2-4-6-9/h9-11,16H,2-8H2,1H3,(H,14,19)/t10-,11+/m1/s1