4-[(4-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl]thiazole-2-carboxylic acid Formula: C12H11NO5S2 MolecularWeight: 313.34944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H11NO5S2/c1-18-9-2-4-10(5-3-9)20(16,17)7-8-6-19-11(13-8)12(14)15/h2-6H,7H2,1H3,(H,14,15)