3-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[[homoveratryl(methyl)amino]methyl]-1,3-benzoxazole-2-thione Formula: C21H26N2O5S2 MolecularWeight: 450.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O5S2/c1-5-30(24,25)16-7-9-18-17(13-16)23(21(29)28-18)14-22(2)11-10-15-6-8-19(26-3)20(12-15)27-4/h6-9,12-13H,5,10-11,14H2,1-4H3