1-[3-bromanyl-4-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-oxidanyl-phenyl]-3-methyl-butan-1-one

Systemtic Name: 1-[3-bromanyl-4-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[3-bromo-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-hydroxy-phenyl]-3-methyl-butan-1-one CAS Name: 1-[3-bromo-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)thio]butoxy]-2-hydroxyphenyl]-3-methyl-1-butanone IUPAC Name: 1-[3-bromo-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-hydroxyphenyl]-3-methylbutan-1-one Traditional Name: 1-[3-bromo-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)thio]butoxy]-2-hydroxy-phenyl]-3-methyl-butan-1-one Formula: C22H23BrClNO4S MolecularWeight: 512.84432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCSC2=NC3=C(O2)C=C(C=C3)Cl)Br)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(=C(C=C1)OCCCCSC2=NC3=C(O2)C=C(C=C3)Cl)Br)O

InChI

InChI=1S/C22H23BrClNO4S/c1-13(2)11-17(26)15-6-8-18(20(23)21(15)27)28-9-3-4-10-30-22-25-16-7-5-14(24)12-19(16)29-22/h5-8,12-13,27H,3-4,9-11H2,1-2H3