2-[[7-chloranyl-3-(4-methylsulfanylphenyl)-1,2-benzoxazol-6-yl]oxy]ethanoic acid

Systemtic Name: 2-[[7-chloranyl-3-(4-methylsulfanylphenyl)-1,2-benzoxazol-6-yl]oxy]ethanoic acid Openeye Name: 2-[[7-chloro-3-(4-methylsulfanylphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid CAS Name: 2-[[7-chloro-3-[4-(methylthio)phenyl]-1,2-benzoxazol-6-yl]oxy]acetic acid IUPAC Name: 2-[[7-chloro-3-(4-methylsulfanylphenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid Traditional Name: 2-[7-chloro-3-[4-(methylthio)phenyl]indoxazen-6-yl]oxyacetic acid Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NOC3=C2C=CC(=C3Cl)OCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NOC3=C2C=CC(=C3Cl)OCC(=O)O

InChI

InChI=1S/C16H12ClNO4S/c1-23-10-4-2-9(3-5-10)15-11-6-7-12(21-8-13(19)20)14(17)16(11)22-18-15/h2-7H,8H2,1H3,(H,19,20)