S-(2-acetamidoethyl) (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-(2-acetamidoethyl) (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-(2-acetamidoethyl) (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: (2S)-1-tosylpyrrolidine-2-carbothioic acid S-(2-acetamidoethyl) ester Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)SCCNC(=O)C

InChI

InChI=1S/C16H22N2O4S2/c1-12-5-7-14(8-6-12)24(21,22)18-10-3-4-15(18)16(20)23-11-9-17-13(2)19/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,19)/t15-/m0/s1