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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(2,2-diphenylethyl)pyrrolidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-(2,2-diphenylethyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-(2,2-diphenylethyl)-2-pyrrolidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-(2,2-diphenylethyl)pyrrolidine-2-carbothioate Traditional Name: 2-(2,2-diphenylethyl)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioate Formula: C26H30NO3S- MolecularWeight: 436.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)[O-]

InChI

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