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

Systemtic Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,3-thiazolidine-4-carboxylate Openeye Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxo-pentanoyl)thiazolidine-4-carboxylate CAS Name: (4S)-3-(3,3-dimethyl-1,2-dioxopentyl)-4-thiazolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (4S)-3-(3,3-dimethyl-2-oxopentanoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (4S)-3-(2-keto-3,3-dimethyl-pentanoyl)thiazolidine-4-carboxylic acid 3-phenylpropyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CSCC1C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CSC[C@@H]1C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO4S/c1-4-20(2,3)17(22)18(23)21-14-26-13-16(21)19(24)25-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16H,4,8,11-14H2,1-3H3/t16-/m1/s1