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

Systemtic Name: 3-phenylpropyl (2R)-3-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,3-thiazolidine-2-carboxylate Openeye Name: 3-phenylpropyl (2R)-3-(3,3-dimethyl-2-oxo-pentanoyl)thiazolidine-2-carboxylate CAS Name: (2R)-3-(3,3-dimethyl-1,2-dioxopentyl)-2-thiazolidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2R)-3-(3,3-dimethyl-2-oxopentanoyl)-1,3-thiazolidine-2-carboxylate Traditional Name: (2R)-3-(2-keto-3,3-dimethyl-pentanoyl)thiazolidine-2-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)N1CCSC1C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCS[C@@H]1C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO4S/c1-4-20(2,3)16(22)17(23)21-12-14-26-18(21)19(24)25-13-8-11-15-9-6-5-7-10-15/h5-7,9-10,18H,4,8,11-14H2,1-3H3/t18-/m1/s1