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

Systemtic Name: 6-[3-(4-cyclohexylphenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[3-(4-cyclohexylphenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[3-[(4-cyclohexylphenyl)thio]propoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[3-(4-cyclohexylphenyl)sulfanylpropoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[3-[(4-cyclohexylphenyl)thio]propoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCSC3=CC=C(C=C3)C4CCCCC4)NC(=O)O1)C

InChI

InChI=1S/C25H31NO3S/c1-25(2)22-17-20(11-14-23(22)26-24(27)29-25)28-15-6-16-30-21-12-9-19(10-13-21)18-7-4-3-5-8-18/h9-14,17-18H,3-8,15-16H2,1-2H3,(H,26,27)