3-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(thiazol-4-ylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(4-thiazolylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(thiazol-4-ylmethylsulfonyl)phenyl]propionic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C13H13NO4S2/c15-13(16)6-3-10-1-4-12(5-2-10)20(17,18)8-11-7-19-9-14-11/h1-2,4-5,7,9H,3,6,8H2,(H,15,16)