5,5-dimethyl-2-[2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid hydrate

Systemtic Name: 5,5-dimethyl-2-[2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid hydrate Openeye Name: 2-[2-hydroxy-2-oxo-1-[(2-phenoxyacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid hydrate CAS Name: 2-[2-hydroxy-2-oxo-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid hydrate IUPAC Name: 2-[2-hydroxy-2-oxo-1-[(2-phenoxyacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrate Traditional Name: 2-[2-hydroxy-2-keto-1-[(2-phenoxyacetyl)amino]ethyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid hydrate Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(S1)C(C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)O)C.O

Isomeric SMILES

CC1(C(NC(S1)C(C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)O)C.O

InChI

InChI=1S/C16H20N2O6S.H2O/c1-16(2)12(15(22)23)18-13(25-16)11(14(20)21)17-10(19)8-24-9-6-4-3-5-7-9;/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23);1H2