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

Systemtic Name: 4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(3-methoxyphenyl)sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[(3-methoxyphenyl)thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[(3-methoxyphenyl)thio]methyl]thiazole-2-carboxylic acid Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=CSC(=N2)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H11NO3S2/c1-16-9-3-2-4-10(5-9)17-6-8-7-18-11(13-8)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)