S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-cyclohexyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-cyclohexyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=O)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C22H29NO3S/c24-20(18-12-5-2-6-13-18)21(25)23-15-7-14-19(23)22(26)27-16-8-11-17-9-3-1-4-10-17/h1,3-4,9-10,18-19H,2,5-8,11-16H2/t19-/m0/s1