dimethyl (2S,5S)-1-[(2S)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2,5-dicarboxylate

Systemtic Name: dimethyl (2S,5S)-1-[(2S)-2-chloranyl-3-phenylsulfanyl-propanoyl]pyrrolidine-2,5-dicarboxylate Openeye Name: dimethyl (2S,5S)-1-[(2S)-2-chloro-3-phenylsulfanyl-propanoyl]pyrrolidine-2,5-dicarboxylate CAS Name: (2S,5S)-1-[(2S)-2-chloro-1-oxo-3-(phenylthio)propyl]pyrrolidine-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,5S)-1-[(2S)-2-chloro-3-phenylsulfanylpropanoyl]pyrrolidine-2,5-dicarboxylate Traditional Name: (2S,5S)-1-[(2S)-2-chloro-3-(phenylthio)propanoyl]pyrrolidine-2,5-dicarboxylic acid dimethyl ester Formula: C17H20ClNO5S MolecularWeight: 385.8624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(N1C(=O)C(CSC2=CC=CC=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1CC[C@H](N1C(=O)[C@@H](CSC2=CC=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H20ClNO5S/c1-23-16(21)13-8-9-14(17(22)24-2)19(13)15(20)12(18)10-25-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14+/m1/s1