3-[2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-(1-ethoxycarbonyl-3-phenyl-propyl)sulfanylpropanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)thio]-1-oxopropyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-[(1-carbethoxy-3-phenyl-propyl)thio]propanoyl]thiazolidine-4-carboxylic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)SC(C)C(=O)N2CSCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)SC(C)C(=O)N2CSCC2C(=O)O

InChI

InChI=1S/C19H25NO5S2/c1-3-25-19(24)16(10-9-14-7-5-4-6-8-14)27-13(2)17(21)20-12-26-11-15(20)18(22)23/h4-8,13,15-16H,3,9-12H2,1-2H3,(H,22,23)