2-[4-(5-chloranyl-2-ethylsulfanyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-(5-chloranyl-2-ethylsulfanyl-phenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(5-chloro-2-ethylsulfanyl-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[5-chloro-2-(ethylthio)phenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(5-chloro-2-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-[5-chloro-2-(ethylthio)phenyl]thiazol-2-yl]acetic acid Formula: C13H12ClNO2S2 MolecularWeight: 313.82288

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)Cl)C2=CSC(=N2)CC(=O)O

Isomeric SMILES

CCSC1=C(C=C(C=C1)Cl)C2=CSC(=N2)CC(=O)O

InChI

InChI=1S/C13H12ClNO2S2/c1-2-18-11-4-3-8(14)5-9(11)10-7-19-12(15-10)6-13(16)17/h3-5,7H,2,6H2,1H3,(H,16,17)