2-[[7-chloranyl-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoic acid

Systemtic Name: 2-[[7-chloranyl-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoic acid Openeye Name: 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoic acid CAS Name: 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]thio]butanoic acid IUPAC Name: 2-[[7-chloro-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]sulfanyl]butanoic acid Traditional Name: 2-[[7-chloro-3-(2-fluorophenyl)indoxazen-6-yl]thio]butyric acid Formula: C17H13ClFNO3S MolecularWeight: 365.806423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=C(C2=C(C=C1)C(=NO2)C3=CC=CC=C3F)Cl

Isomeric SMILES

CCC(C(=O)O)SC1=C(C2=C(C=C1)C(=NO2)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C17H13ClFNO3S/c1-2-12(17(21)22)24-13-8-7-10-15(20-23-16(10)14(13)18)9-5-3-4-6-11(9)19/h3-8,12H,2H2,1H3,(H,21,22)