4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]thiazole-2-carboxylic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C13H11NO4S2/c15-13(16)12-14-8(7-20-12)6-19-9-1-2-10-11(5-9)18-4-3-17-10/h1-2,5,7H,3-4,6H2,(H,15,16)