4-(phenylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-(phenylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(phenylsulfanylmethyl)thiazole-2-carboxylic acid CAS Name: 4-[(phenylthio)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-(phenylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(phenylthio)methyl]thiazole-2-carboxylic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO2S2/c13-11(14)10-12-8(7-16-10)6-15-9-4-2-1-3-5-9/h1-5,7H,6H2,(H,13,14)