2-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2NC(CS2)C(=O)O)COC3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2NC(CS2)C(=O)O)COC3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrNO4S/c1-23-15-7-6-11(17-20-14(10-25-17)18(21)22)8-12(15)9-24-16-5-3-2-4-13(16)19/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)