2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC

InChI

InChI=1S/C20H22ClNO4S/c1-11-6-15(7-12(2)18(11)21)26-9-14-8-13(4-5-17(14)25-3)19-22-16(10-27-19)20(23)24/h4-8,16,19,22H,9-10H2,1-3H3,(H,23,24)