O-[3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-[3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[3-(3,4-dimethoxyphenyl)propyl] ester IUPAC Name: O-[3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[3-(3,4-dimethoxyphenyl)propyl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=S)OCCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H33NO5S/c1-6-23(2,3)20(25)21(26)24-13-7-10-17(24)22(30)29-14-8-9-16-11-12-18(27-4)19(15-16)28-5/h11-12,15,17H,6-10,13-14H2,1-5H3/t17-/m0/s1