4-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC(=N2)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CSC(=N2)C

InChI

InChI=1S/C14H15NO4S2/c1-3-10-4-5-11(14(16)17)6-13(10)21(18,19)8-12-7-20-9(2)15-12/h4-7H,3,8H2,1-2H3,(H,16,17)