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

Systemtic Name: 4-[(4-propan-2-ylphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-isopropylphenyl)sulfonylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[(4-propan-2-ylphenyl)sulfonylmethyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-propan-2-ylphenyl)sulfonylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(p-cumenylsulfonylmethyl)thiazole-2-carboxylic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S2/c1-9(2)10-3-5-12(6-4-10)21(18,19)8-11-7-20-13(15-11)14(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)