3-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(3-phenoxyphenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-(3-phenoxyphenyl)-3-piperonyloyl-thiazolidine-4-carboxylic acid Formula: C24H19NO6S MolecularWeight: 449.47576

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H19NO6S/c26-22(15-9-10-20-21(12-15)30-14-29-20)25-19(24(27)28)13-32-23(25)16-5-4-8-18(11-16)31-17-6-2-1-3-7-17/h1-12,19,23H,13-14H2,(H,27,28)