2-[3-cyano-4-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-cyano-4-(4-methyl-2-oxidanyl-phenoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-cyano-4-(2-hydroxy-4-methyl-phenoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-cyano-4-(2-hydroxy-4-methylphenoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-cyano-4-(2-hydroxy-4-methylphenoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-cyano-4-(2-hydroxy-4-methyl-phenoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3NC(CS3)C(=O)O)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C3NC(CS3)C(=O)O)C#N)O

InChI

InChI=1S/C18H16N2O4S/c1-10-2-4-16(14(21)6-10)24-15-5-3-11(7-12(15)8-19)17-20-13(9-25-17)18(22)23/h2-7,13,17,20-21H,9H2,1H3,(H,22,23)