S-(4-phenylbutyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) (2S)-1-(2-cyclohexyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-cyclohexyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) (2S)-1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-cyclohexyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=O)SCCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO3S/c25-21(19-13-5-2-6-14-19)22(26)24-16-9-15-20(24)23(27)28-17-8-7-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2/t20-/m0/s1