3-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)thiazolidine-4-carboxylic acid CAS Name: 3-[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(5-chlorocoumaran-2-carbonyl)thiazolidine-4-carboxylic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)Cl)C(=O)N3CSCC3C(=O)O

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)Cl)C(=O)N3CSCC3C(=O)O

InChI

InChI=1S/C13H12ClNO4S/c14-8-1-2-10-7(3-8)4-11(19-10)12(16)15-6-20-5-9(15)13(17)18/h1-3,9,11H,4-6H2,(H,17,18)