S-(3-phenylpropyl) 3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,3-thiazolidine-4-carbothioate

Systemtic Name: S-(3-phenylpropyl) 3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,3-thiazolidine-4-carbothioate Openeye Name: S-(3-phenylpropyl) 3-(3,3-dimethyl-2-oxo-pentanoyl)thiazolidine-4-carbothioate CAS Name: 3-(3,3-dimethyl-1,2-dioxopentyl)-4-thiazolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 3-(3,3-dimethyl-2-oxopentanoyl)-1,3-thiazolidine-4-carbothioate Traditional Name: 3-(2-keto-3,3-dimethyl-pentanoyl)thiazolidine-4-carbothioic acid S-(3-phenylpropyl) ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CSCC1C(=O)SCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CSCC1C(=O)SCCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO3S2/c1-4-20(2,3)17(22)18(23)21-14-25-13-16(21)19(24)26-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3