6-[4-(3,4-dimethoxyphenyl)sulfanylbutoxy]-4,4-diethyl-1H-3,1-benzoxazin-2-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C=C3)OC)OC)NC(=O)O1)CC

InChI

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