methyl (2S,5S)-1-ethanoyl-5-phenylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,5S)-1-ethanoyl-5-phenylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,5S)-1-acetyl-5-phenylsulfanyl-pyrrolidine-2-carboxylate CAS Name: (2S,5S)-1-acetyl-5-(phenylthio)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S)-1-acetyl-5-phenylsulfanylpyrrolidine-2-carboxylate Traditional Name: (2S,5S)-1-acetyl-5-(phenylthio)pyrrolidine-2-carboxylic acid methyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CCC1SC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1[C@@H](CC[C@@H]1SC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H17NO3S/c1-10(16)15-12(14(17)18-2)8-9-13(15)19-11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3/t12-,13-/m0/s1