methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate CAS Name: (2S,3R)-1-[(1S)-1-phenylethyl]-3-[(phenylthio)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-1-[(1S)-1-phenylethyl]-3-(phenylsulfanylmethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-1-[(1S)-1-phenylethyl]-3-[(phenylthio)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2C(=O)OC)CSC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-16(17-9-5-3-6-10-17)22-14-13-18(20(22)21(23)24-2)15-25-19-11-7-4-8-12-19/h3-12,16,18,20H,13-15H2,1-2H3/t16-,18-,20-/m0/s1