4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(4-acetamidophenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(4-acetamidophenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(4-acetamidophenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C13H12N2O3S2/c1-8(16)14-9-2-4-11(5-3-9)19-6-10-7-20-12(15-10)13(17)18/h2-5,7H,6H2,1H3,(H,14,16)(H,17,18)