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

Systemtic Name: O-[3-(3-methoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[3-(3-methoxyphenyl)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-(3-methoxyphenyl)propyl] ester IUPAC Name: O-[3-(3-methoxyphenyl)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-(3-methoxyphenyl)propyl] ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4S/c1-5-22(2,3)19(24)20(25)23-13-7-12-18(23)21(28)27-14-8-10-16-9-6-11-17(15-16)26-4/h6,9,11,15,18H,5,7-8,10,12-14H2,1-4H3