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

Systemtic Name: O-[3-(2,3-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[3-(2,3-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[3-(2,3-dimethoxyphenyl)propyl] ester IUPAC Name: O-[3-(2,3-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[3-(2,3-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=C(C(=CC=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO5S/c1-6-23(2,3)20(25)21(26)24-14-8-12-17(24)22(30)29-15-9-11-16-10-7-13-18(27-4)19(16)28-5/h7,10,13,17H,6,8-9,11-12,14-15H2,1-5H3