2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methyl-thiazole-5-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-8-12(13(17)18)21-14(16-8)15-7-9-2-3-10-11(6-9)20-5-4-19-10/h2-3,6H,4-5,7H2,1H3,(H,15,16)(H,17,18)