2-(4-chloranylphenoxy)-5,5-dimethyl-2-[(propanoylamino)methyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-chloranylphenoxy)-5,5-dimethyl-2-[(propanoylamino)methyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-(4-chlorophenoxy)-5,5-dimethyl-2-[(propanoylamino)methyl]thiazolidine-4-carboxylic acid CAS Name: 2-(4-chlorophenoxy)-5,5-dimethyl-2-[(1-oxopropylamino)methyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-(4-chlorophenoxy)-5,5-dimethyl-2-[(propanoylamino)methyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(4-chlorophenoxy)-5,5-dimethyl-2-(propionamidomethyl)thiazolidine-4-carboxylic acid Formula: C16H21ClN2O4S MolecularWeight: 372.86694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1(NC(C(S1)(C)C)C(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(=O)NCC1(NC(C(S1)(C)C)C(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN2O4S/c1-4-12(20)18-9-16(23-11-7-5-10(17)6-8-11)19-13(14(21)22)15(2,3)24-16/h5-8,13,19H,4,9H2,1-3H3,(H,18,20)(H,21,22)