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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-thiazol-3-yl]propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-2-oxo-thiazol-3-yl]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-2-oxo-3-thiazolyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-2-keto-4-thiazolin-3-yl]propionic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=O)N3CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=O)N3CCC(=O)O

InChI

InChI=1S/C13H11NO5S/c15-12(16)3-4-14-9(6-20-13(14)17)8-1-2-10-11(5-8)19-7-18-10/h1-2,5-6H,3-4,7H2,(H,15,16)