4-methyl-2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanoyl]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanoyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]acetyl]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[1-oxo-2-[4-(5-phenylpentylthio)phenoxy]ethyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[2-[4-(5-phenylpentylsulfanyl)phenoxy]acetyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[2-[4-(5-phenylpentylthio)phenoxy]acetyl]thiazole-5-carboxylic acid Formula: C24H25NO4S2 MolecularWeight: 455.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(=O)COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C(=O)COC2=CC=C(C=C2)SCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO4S2/c1-17-22(24(27)28)31-23(25-17)21(26)16-29-19-11-13-20(14-12-19)30-15-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-14H,3,6-7,10,15-16H2,1H3,(H,27,28)