2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-(piperonylamino)thiazole-5-carboxylic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C13H12N2O4S/c1-7-11(12(16)17)20-13(15-7)14-5-8-2-3-9-10(4-8)19-6-18-9/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)