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

Systemtic Name: 4-[(phenylmethyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(benzylsulfonylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(phenylmethyl)sulfonylmethyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(benzylsulfonylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(benzylsulfonylmethyl)thiazole-2-carboxylic acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H11NO4S2/c14-12(15)11-13-10(6-18-11)8-19(16,17)7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15)