phenethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbodithioate

Systemtic Name: phenethyl 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbodithioate Openeye Name: phenethyl 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbodithioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbodithioic acid phenethyl ester IUPAC Name: phenethyl 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbodithioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbodithioic acid phenethyl ester Formula: C20H27NO2S2 MolecularWeight: 377.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)SCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)SCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2S2/c1-4-20(2,3)17(22)18(23)21-13-8-11-16(21)19(24)25-14-12-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3