3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)thiazolidine-4-carboxylic acid CAS Name: 3-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)thiazolidine-4-carboxylic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CSCC3C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CSCC3C(=O)O)OC1

InChI

InChI=1S/C14H15NO5S/c16-13(15-8-21-7-10(15)14(17)18)9-2-3-11-12(6-9)20-5-1-4-19-11/h2-3,6,10H,1,4-5,7-8H2,(H,17,18)