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

Systemtic Name: 1-[4-[4-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-3-methyl-2-oxidanyl-phenyl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-[(6-chloro-1,3-benzoxazol-2-yl)thio]butoxy]-2-hydroxy-3-methylphenyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]butoxy]-2-hydroxy-3-methylphenyl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-[(6-chloro-1,3-benzoxazol-2-yl)thio]butoxy]-2-hydroxy-3-methyl-phenyl]-3-methyl-butan-1-one Formula: C23H26ClNO4S MolecularWeight: 447.97484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO4S/c1-14(2)12-19(26)17-7-9-20(15(3)22(17)27)28-10-4-5-11-30-23-25-18-8-6-16(24)13-21(18)29-23/h6-9,13-14,27H,4-5,10-12H2,1-3H3