methyl (2S)-1-(phenylcarbonyl)-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(phenylcarbonyl)-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-benzoyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-benzoyl-5-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-benzoyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: (2S)-1-benzoyl-5-thioxo-pyrrolidine-2-carboxylic acid methyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=S)N1C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCC(=S)N1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO3S/c1-17-13(16)10-7-8-11(18)14(10)12(15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1