3-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-methylthiazol-4-yl)methylsulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-methyl-4-thiazolyl)methylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-methylthiazol-4-yl)methylsulfonyl]phenyl]propionic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H15NO4S2/c1-10-15-12(8-20-10)9-21(18,19)13-5-2-11(3-6-13)4-7-14(16)17/h2-3,5-6,8H,4,7,9H2,1H3,(H,16,17)