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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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