6-[6-(3,4-dimethoxyphenyl)sulfanylhexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[6-(3,4-dimethoxyphenyl)sulfanylhexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[6-(3,4-dimethoxyphenyl)sulfanylhexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[6-[(3,4-dimethoxyphenyl)thio]hexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[6-(3,4-dimethoxyphenyl)sulfanylhexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[6-[(3,4-dimethoxyphenyl)thio]hexoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)C

InChI

InChI=1S/C24H31NO5S/c1-24(2)19-15-17(9-11-20(19)25-23(26)30-24)29-13-7-5-6-8-14-31-18-10-12-21(27-3)22(16-18)28-4/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,26)