8-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 8-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 8-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 8-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 8-[4-(4-cyclohexylphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 8-[4-[(4-cyclohexylphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C(=CC=C2)OCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

InChI

InChI=1S/C26H33NO3S/c1-26(2)22-11-8-12-23(24(22)27-25(28)30-26)29-17-6-7-18-31-21-15-13-20(14-16-21)19-9-4-3-5-10-19/h8,11-16,19H,3-7,9-10,17-18H2,1-2H3,(H,27,28)