O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-(2,2-diphenylethyl) ester IUPAC Name: O-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-(2,2-diphenylethyl) ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO3S/c1-4-26(2,3)23(28)24(29)27-17-11-16-22(27)25(31)30-18-21(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21-22H,4,11,16-18H2,1-3H3