S-(3-naphthalen-1-ylpropyl) (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-naphthalen-1-ylpropyl) (2S)-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(1-naphthyl)propyl] (2S)-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid S-[3-(1-naphthalenyl)propyl] ester IUPAC Name: S-(3-naphthalen-1-ylpropyl) (2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid S-[3-(1-naphthyl)propyl] ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)SCCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H31NO3S/c1-4-25(2,3)22(27)23(28)26-16-8-15-21(26)24(29)30-17-9-13-19-12-7-11-18-10-5-6-14-20(18)19/h5-7,10-12,14,21H,4,8-9,13,15-17H2,1-3H3/t21-/m0/s1