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

Systemtic Name: 8-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 8-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 8-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 8-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 8-[4-[(3,4-dimethoxyphenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-22(2)16-8-7-9-18(20(16)23-21(24)28-22)27-12-5-6-13-29-15-10-11-17(25-3)19(14-15)26-4/h7-11,14H,5-6,12-13H2,1-4H3,(H,23,24)