4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-ethylthiazol-4-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-ethyl-4-thiazolyl)methylthio]benzoic acid IUPAC Name: 4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-ethylthiazol-4-yl)methylthio]benzoic acid Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO2S2/c1-2-12-14-10(8-18-12)7-17-11-5-3-9(4-6-11)13(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)