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

Systemtic Name: S-(3,3-diphenylpropyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-(3,3-diphenylpropyl) (2S)-1-(2-cyclohexyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-cyclohexyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid S-(3,3-diphenylpropyl) ester IUPAC Name: S-(3,3-diphenylpropyl) (2S)-1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-cyclohexyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid S-(3,3-diphenylpropyl) ester Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=O)SCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33NO3S/c30-26(23-15-8-3-9-16-23)27(31)29-19-10-17-25(29)28(32)33-20-18-24(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-2,4-7,11-14,23-25H,3,8-10,15-20H2/t25-/m0/s1