2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]thiazole-4-carboxylic acid CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]thiazole-4-carboxylic acid Formula: C13H9NO4S MolecularWeight: 275.27986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC(=CS3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO4S/c15-13(16)9-6-19-12(14-9)4-2-8-1-3-10-11(5-8)18-7-17-10/h1-6H,7H2,(H,15,16)/b4-2+