6-[5-(4-cyclohexylphenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[5-(4-cyclohexylphenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[5-(4-cyclohexylphenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[5-[(4-cyclohexylphenyl)thio]pentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[5-(4-cyclohexylphenyl)sulfanylpentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[5-[(4-cyclohexylphenyl)thio]pentoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

InChI

InChI=1S/C27H35NO3S/c1-27(2)24-19-22(13-16-25(24)28-26(29)31-27)30-17-7-4-8-18-32-23-14-11-21(12-15-23)20-9-5-3-6-10-20/h11-16,19-20H,3-10,17-18H2,1-2H3,(H,28,29)