methyl (2S,4S)-3,3-dimethyl-4-methylsulfanylcarbothioyloxy-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-3,3-dimethyl-4-methylsulfanylcarbothioyloxy-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-benzyl-3,3-dimethyl-4-methylsulfanylcarbothioyloxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-3,3-dimethyl-4-[(methylthio)-sulfanylidenemethoxy]-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-benzyl-3,3-dimethyl-4-methylsulfanylcarbothioyloxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-benzyl-3,3-dimethyl-4-(methylthio)carbothioyloxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CN(C1C(=O)OC)CC2=CC=CC=C2)OC(=S)SC)C

Isomeric SMILES

CC1([C@@H](CN([C@@H]1C(=O)OC)CC2=CC=CC=C2)OC(=S)SC)C

InChI

InChI=1S/C17H23NO3S2/c1-17(2)13(21-16(22)23-4)11-18(14(17)15(19)20-3)10-12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m1/s1