3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]propanoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)thiazol-4-yl]propionic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=CS3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=CS3)CCC(=O)O

InChI

InChI=1S/C13H11NO4S/c15-12(16)4-2-9-6-19-13(14-9)8-1-3-10-11(5-8)18-7-17-10/h1,3,5-6H,2,4,7H2,(H,15,16)