2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfinyl]-2-methyl-propanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfinyl]-2-methyl-propanoic acid Openeye Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfinyl]-2-methyl-propanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfinyl]-2-methylpropanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]sulfinyl]-2-methylpropanoic acid Traditional Name: 2-[3-(4-chlorophenyl)indoxazen-6-yl]sulfinyl-2-methyl-propionic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)S(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)O)S(=O)C1=CC2=C(C=C1)C(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO4S/c1-17(2,16(20)21)24(22)12-7-8-13-14(9-12)23-19-15(13)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H,20,21)