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

Systemtic Name: S-(3-pyridin-3-ylpropyl) (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(3-pyridyl)propyl] (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-pyridinyl)propyl] ester IUPAC Name: S-(3-pyridin-3-ylpropyl) (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-pyridyl)propyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c24-19(17-9-2-1-3-10-17)20(25)23-13-5-11-18(23)21(26)27-14-6-8-16-7-4-12-22-15-16/h4,7,12,15,17-18H,1-3,5-6,8-11,13-14H2/t18-/m0/s1